N-[3-[[3-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methylamino]-3-oxopropyl]amino]-3-oxopropyl]-3,3,3-triphenylpropanamide

C40H52N4O3 — CID 11828362

IUPACN-[3-[[3-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methylamino]-3-oxopropyl]amino]-3-oxopropyl]-3,3,3-triphenylpropanamide
SMILESO=C(CCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NC[C@H]1CCCN(CC2CCCCC2)C1
InChIInChI=1S/C40H52N4O3/c45-37(41-25-24-38(46)43-29-33-16-13-27-44(31-33)30-32-14-5-1-6-15-32)23-26-42-39(47)28-40(34-17-7-2-8-18-34,35-19-9-3-10-20-35)36-21-11-4-12-22-36/h2-4,7-12,17-22,32-33H,1,5-6,13-16,23-31H2,(H,41,45)(H,42,47)(H,43,46)/t33-/m1/s1
InChIKeyPOGDAPYUQHRUOU-MGBGTMOVSA-N
MW636.88 g/mol
LogP5.83
Rot. Bonds15

About N-[3-[[3-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methylamino]-3-oxopropyl]amino]-3-oxopropyl]-3,3,3-triphenylpropanamide

N-[3-[[3-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methylamino]-3-oxopropyl]amino]-3-oxopropyl]-3,3,3-triphenylpropanamide (PubChem CID 11828362) has the molecular formula C40H52N4O3 and a molecular weight of 636.88 g/mol. Its IUPAC name is N-[3-[[3-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methylamino]-3-oxopropyl]amino]-3-oxopropyl]-3,3,3-triphenylpropanamide.

Molecular Properties

Compound NameN-[3-[[3-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methylamino]-3-oxopropyl]amino]-3-oxopropyl]-3,3,3-triphenylpropanamide
PubChem CID11828362
Molecular FormulaC40H52N4O3
Molecular Weight636.88 g/mol
Exact Mass636.40
IUPAC NameN-[3-[[3-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methylamino]-3-oxopropyl]amino]-3-oxopropyl]-3,3,3-triphenylpropanamide
SMILESO=C(CCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NC[C@H]1CCCN(CC2CCCCC2)C1
InChIInChI=1S/C40H52N4O3/c45-37(41-25-24-38(46)43-29-33-16-13-27-44(31-33)30-32-14-5-1-6-15-32)23-26-42-39(47)28-40(34-17-7-2-8-18-34,35-19-9-3-10-20-35)36-21-11-4-12-22-36/h2-4,7-12,17-22,32-33H,1,5-6,13-16,23-31H2,(H,41,45)(H,42,47)(H,43,46)/t33-/m1/s1
InChIKeyPOGDAPYUQHRUOU-MGBGTMOVSA-N
XLogP5.83
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.88
LogP ≤ 55.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-phenethyladamantane-1-carboxamide
CID 2787235
(2R)-N-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methyl]-1-[(2S)-1-(3,3,3-triphenylpropanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 10919522
Banyu CPTP
CID 11039424
N-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methyl]-6-(3,3,3-triphenylpropanoylamino)hexanamide
CID 11767229
N-(3,3-diphenylpropyl)-2,2-diphenylacetamide
CID 4225440
(2S)-N-[3-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methylamino]-3-oxopropyl]-1-(3,3,3-triphenylpropanoyl)pyrrolidine-2-carboxamide
CID 11061341
N-(4-phenylbutyl)adamantane-1-carboxamide
CID 2841743
1-(3-Phenyladamantane-1-carbonyl)piperidine
CID 2953793
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-diphenylacetamide
CID 9950970
N-[3-(4-Cyano-4-o-tolyl-piperidin-1-yl)-propyl]-2,2-di-p-tolyl-acetamide
CID 9982585
N-[3-(4-Benzyl-piperidin-1-yl)-propyl]-2,2-diphenyl-acetamide
CID 10320283
N-[3-(4,4-Diphenyl-piperidin-1-yl)-propyl]-3-oxo-butyramide
CID 10362296

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methylamino]-3-oxopropyl]amino]-3-oxopropyl]-3,3,3-triphenylpropanamide?
The IUPAC name of N-[3-[[3-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methylamino]-3-oxopropyl]amino]-3-oxopropyl]-3,3,3-triphenylpropanamide (CID 11828362) is N-[3-[[3-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methylamino]-3-oxopropyl]amino]-3-oxopropyl]-3,3,3-triphenylpropanamide.
What is the SMILES notation for N-[3-[[3-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methylamino]-3-oxopropyl]amino]-3-oxopropyl]-3,3,3-triphenylpropanamide?
The canonical SMILES for N-[3-[[3-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methylamino]-3-oxopropyl]amino]-3-oxopropyl]-3,3,3-triphenylpropanamide is O=C(CCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NC[C@H]1CCCN(CC2CCCCC2)C1.
What is the InChIKey of N-[3-[[3-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methylamino]-3-oxopropyl]amino]-3-oxopropyl]-3,3,3-triphenylpropanamide?
The InChIKey is POGDAPYUQHRUOU-MGBGTMOVSA-N. The full InChI is InChI=1S/C40H52N4O3/c45-37(41-25-24-38(46)43-29-33-16-13-27-44(31-33)30-32-14-5-1-6-15-32)23-26-42-39(47)28-40(34-17-7-2-8-18-34,35-19-9-3-10-20-35)36-21-11-4-12-22-36/h2-4,7-12,17-22,32-33H,1,5-6,13-16,23-31H2,(H,41,45)(H,42,47)(H,43,46)/t33-/m1/s1.
What are the key properties of N-[3-[[3-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methylamino]-3-oxopropyl]amino]-3-oxopropyl]-3,3,3-triphenylpropanamide?
N-[3-[[3-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methylamino]-3-oxopropyl]amino]-3-oxopropyl]-3,3,3-triphenylpropanamide has a molecular weight of 636.88 g/mol, XLogP of 5.83, 15 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methylamino]-3-oxopropyl]amino]-3-oxopropyl]-3,3,3-triphenylpropanamide is sourced from PubChem (CID 11828362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).