N-[(14S,15S,18S,21R,23R,24S)-10,14,15,18,21,24-hexamethyl-5,8-diazahexacyclo[12.12.0.02,11.04,9.015,24.018,23]hexacosa-1(26),2,4,6,8,10,12-heptaen-21-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide

C41H58N6O — CID 163196409

IUPACN-[(14S,15S,18S,21R,23R,24S)-10,14,15,18,21,24-hexamethyl-5,8-diazahexacyclo[12.12.0.02,11.04,9.015,24.018,23]hexacosa-1(26),2,4,6,8,10,12-heptaen-21-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
SMILESCc1c2c(cc3nccnc13)C1=CC[C@@]3(C)[C@@H]4C[C@](C)(NC(=O)N5CCN(C6CCN(C)CC6)CC5)CC[C@]4(C)CC[C@]3(C)[C@]1(C)C=C2
InChIInChI=1S/C41H58N6O/c1-28-30-8-12-39(4)32(31(30)26-33-35(28)43-19-18-42-33)9-13-40(5)34-27-38(3,16-14-37(34,2)15-17-41(39,40)6)44-36(48)47-24-22-46(23-25-47)29-10-20-45(7)21-11-29/h8-9,12,18-19,26,29,34H,10-11,13-17,20-25,27H2,1-7H3,(H,44,48)/t34-,37-,38-,39-,40+,41-/m1/s1
InChIKeyKODKFUCFEMZRKX-JUIHQLMDSA-N
MW650.96 g/mol
LogP7.55
Rot. Bonds2

About N-[(14S,15S,18S,21R,23R,24S)-10,14,15,18,21,24-hexamethyl-5,8-diazahexacyclo[12.12.0.02,11.04,9.015,24.018,23]hexacosa-1(26),2,4,6,8,10,12-heptaen-21-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide

N-[(14S,15S,18S,21R,23R,24S)-10,14,15,18,21,24-hexamethyl-5,8-diazahexacyclo[12.12.0.02,11.04,9.015,24.018,23]hexacosa-1(26),2,4,6,8,10,12-heptaen-21-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide (PubChem CID 163196409) has the molecular formula C41H58N6O and a molecular weight of 650.96 g/mol. Its IUPAC name is N-[(14S,15S,18S,21R,23R,24S)-10,14,15,18,21,24-hexamethyl-5,8-diazahexacyclo[12.12.0.02,11.04,9.015,24.018,23]hexacosa-1(26),2,4,6,8,10,12-heptaen-21-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(14S,15S,18S,21R,23R,24S)-10,14,15,18,21,24-hexamethyl-5,8-diazahexacyclo[12.12.0.02,11.04,9.015,24.018,23]hexacosa-1(26),2,4,6,8,10,12-heptaen-21-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
PubChem CID163196409
Molecular FormulaC41H58N6O
Molecular Weight650.96 g/mol
Exact Mass650.47
IUPAC NameN-[(14S,15S,18S,21R,23R,24S)-10,14,15,18,21,24-hexamethyl-5,8-diazahexacyclo[12.12.0.02,11.04,9.015,24.018,23]hexacosa-1(26),2,4,6,8,10,12-heptaen-21-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
SMILESCc1c2c(cc3nccnc13)C1=CC[C@@]3(C)[C@@H]4C[C@](C)(NC(=O)N5CCN(C6CCN(C)CC6)CC5)CC[C@]4(C)CC[C@]3(C)[C@]1(C)C=C2
InChIInChI=1S/C41H58N6O/c1-28-30-8-12-39(4)32(31(30)26-33-35(28)43-19-18-42-33)9-13-40(5)34-27-38(3,16-14-37(34,2)15-17-41(39,40)6)44-36(48)47-24-22-46(23-25-47)29-10-20-45(7)21-11-29/h8-9,12,18-19,26,29,34H,10-11,13-17,20-25,27H2,1-7H3,(H,44,48)/t34-,37-,38-,39-,40+,41-/m1/s1
InChIKeyKODKFUCFEMZRKX-JUIHQLMDSA-N
XLogP7.55
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.96
LogP ≤ 57.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(14S,15S,18S,21R,23R,24S)-10,14,15,18,21,24-hexamethyl-5,8-diazahexacyclo[12.12.0.02,11.04,9.015,24.018,23]hexacosa-1(26),2,4,6,8,10,12-heptaen-21-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(14S,15S,18S,21R,23R,24S)-10,14,15,18,21,24-hexamethyl-5,8-diazahexacyclo[12.12.0.02,11.04,9.015,24.018,23]hexacosa-1(26),2,4,6,8,10,12-heptaen-21-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-[(14S,15S,18S,21R,23R,24S)-10,14,15,18,21,24-hexamethyl-5,8-diazahexacyclo[12.12.0.02,11.04,9.015,24.018,23]hexacosa-1(26),2,4,6,8,10,12-heptaen-21-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide (CID 163196409) is N-[(14S,15S,18S,21R,23R,24S)-10,14,15,18,21,24-hexamethyl-5,8-diazahexacyclo[12.12.0.02,11.04,9.015,24.018,23]hexacosa-1(26),2,4,6,8,10,12-heptaen-21-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(14S,15S,18S,21R,23R,24S)-10,14,15,18,21,24-hexamethyl-5,8-diazahexacyclo[12.12.0.02,11.04,9.015,24.018,23]hexacosa-1(26),2,4,6,8,10,12-heptaen-21-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[(14S,15S,18S,21R,23R,24S)-10,14,15,18,21,24-hexamethyl-5,8-diazahexacyclo[12.12.0.02,11.04,9.015,24.018,23]hexacosa-1(26),2,4,6,8,10,12-heptaen-21-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide is Cc1c2c(cc3nccnc13)C1=CC[C@@]3(C)[C@@H]4C[C@](C)(NC(=O)N5CCN(C6CCN(C)CC6)CC5)CC[C@]4(C)CC[C@]3(C)[C@]1(C)C=C2.
What is the InChIKey of N-[(14S,15S,18S,21R,23R,24S)-10,14,15,18,21,24-hexamethyl-5,8-diazahexacyclo[12.12.0.02,11.04,9.015,24.018,23]hexacosa-1(26),2,4,6,8,10,12-heptaen-21-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide?
The InChIKey is KODKFUCFEMZRKX-JUIHQLMDSA-N. The full InChI is InChI=1S/C41H58N6O/c1-28-30-8-12-39(4)32(31(30)26-33-35(28)43-19-18-42-33)9-13-40(5)34-27-38(3,16-14-37(34,2)15-17-41(39,40)6)44-36(48)47-24-22-46(23-25-47)29-10-20-45(7)21-11-29/h8-9,12,18-19,26,29,34H,10-11,13-17,20-25,27H2,1-7H3,(H,44,48)/t34-,37-,38-,39-,40+,41-/m1/s1.
What are the key properties of N-[(14S,15S,18S,21R,23R,24S)-10,14,15,18,21,24-hexamethyl-5,8-diazahexacyclo[12.12.0.02,11.04,9.015,24.018,23]hexacosa-1(26),2,4,6,8,10,12-heptaen-21-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide?
N-[(14S,15S,18S,21R,23R,24S)-10,14,15,18,21,24-hexamethyl-5,8-diazahexacyclo[12.12.0.02,11.04,9.015,24.018,23]hexacosa-1(26),2,4,6,8,10,12-heptaen-21-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide has a molecular weight of 650.96 g/mol, XLogP of 7.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(14S,15S,18S,21R,23R,24S)-10,14,15,18,21,24-hexamethyl-5,8-diazahexacyclo[12.12.0.02,11.04,9.015,24.018,23]hexacosa-1(26),2,4,6,8,10,12-heptaen-21-yl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 163196409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).