4-methyl-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylcyclohexane-1-carboxamide

C28H40N6O — CID 123650765

IUPAC4-methyl-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC2CCN(Cc3ccc(N4CCNCC4)nc3)CC2)CC1c1cccnc1
InChIInChI=1S/C28H40N6O/c1-21-4-6-23(17-26(21)24-3-2-10-30-19-24)28(35)32-25-8-13-33(14-9-25)20-22-5-7-27(31-18-22)34-15-11-29-12-16-34/h2-3,5,7,10,18-19,21,23,25-26,29H,4,6,8-9,11-17,20H2,1H3,(H,32,35)
InChIKeyANMJCYPEUSKXMT-UHFFFAOYSA-N
MW476.67 g/mol
LogP3.19
Rot. Bonds6

About 4-methyl-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylcyclohexane-1-carboxamide

4-methyl-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylcyclohexane-1-carboxamide (PubChem CID 123650765) has the molecular formula C28H40N6O and a molecular weight of 476.67 g/mol. Its IUPAC name is 4-methyl-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylcyclohexane-1-carboxamide
PubChem CID123650765
Molecular FormulaC28H40N6O
Molecular Weight476.67 g/mol
Exact Mass476.33
IUPAC Name4-methyl-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC2CCN(Cc3ccc(N4CCNCC4)nc3)CC2)CC1c1cccnc1
InChIInChI=1S/C28H40N6O/c1-21-4-6-23(17-26(21)24-3-2-10-30-19-24)28(35)32-25-8-13-33(14-9-25)20-22-5-7-27(31-18-22)34-15-11-29-12-16-34/h2-3,5,7,10,18-19,21,23,25-26,29H,4,6,8-9,11-17,20H2,1H3,(H,32,35)
InChIKeyANMJCYPEUSKXMT-UHFFFAOYSA-N
XLogP3.19
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.67
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methyl-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylcyclohexane-1-carboxamide with MolForge

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Related Compounds

Wnt-974
CID 46926973
BPKDi
CID 46901383
Gnf6231
CID 46927297
4-[[2-Methyl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propanoyl]amino]adamantane-1-carboxamide
CID 11670435
2-(4-isobutylphenyl)-N-(3-methylpyridin-2-yl)propanamide
CID 6612586
6-(4-{[4-(Propan-2-yl)phenyl]acetyl}piperazin-1-yl)pyridine-3-carbonitrile
CID 139532134
1-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyridin-1-yl]piperidine-4-carboxylic Acid(2-Pyrrolidin-1-ylethyl)amide
CID 46900235
N-(2-(pyrrolidin-1-yl)ethyl)-1-(3-(2-(tetrahydro-2H-pyran-4-ylamino)pyridin-4-yl)-2,6-naphthyridin-1-yl)piperidine-4-carboxamide
CID 46901056
4-(2-Cyclohexylaminopyridin-4-yl)-6-(piperazin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 46901212
2''-Phenylamino-6-piperazin-1-yl[2,4'']bipyridinyl-4-carboxylic Acid Methyl Amide
CID 46901384
2-Piperazin-1-yl-6-[2-(propan-2-ylamino)-4-pyridinyl]pyridine-4-carboxamide
CID 46901542
US10251893, Cpd 51
CID 46926891

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-methyl-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylcyclohexane-1-carboxamide (CID 123650765) is 4-methyl-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-methyl-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylcyclohexane-1-carboxamide is CC1CCC(C(=O)NC2CCN(Cc3ccc(N4CCNCC4)nc3)CC2)CC1c1cccnc1.
What is the InChIKey of 4-methyl-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylcyclohexane-1-carboxamide?
The InChIKey is ANMJCYPEUSKXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N6O/c1-21-4-6-23(17-26(21)24-3-2-10-30-19-24)28(35)32-25-8-13-33(14-9-25)20-22-5-7-27(31-18-22)34-15-11-29-12-16-34/h2-3,5,7,10,18-19,21,23,25-26,29H,4,6,8-9,11-17,20H2,1H3,(H,32,35).
What are the key properties of 4-methyl-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylcyclohexane-1-carboxamide?
4-methyl-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylcyclohexane-1-carboxamide has a molecular weight of 476.67 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[(6-piperazin-1-yl-3-pyridinyl)methyl]piperidin-4-yl]-3-pyridin-3-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 123650765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).