1-[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]-N,N-diethylpiperidine-3-carboxamide

C27H40N6O — CID 117090657

IUPAC1-[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(c2ncc(C)c(NC3CCN(Cc4ccccc4)CC3)n2)C1
InChIInChI=1S/C27H40N6O/c1-4-32(5-2)26(34)23-12-9-15-33(20-23)27-28-18-21(3)25(30-27)29-24-13-16-31(17-14-24)19-22-10-7-6-8-11-22/h6-8,10-11,18,23-24H,4-5,9,12-17,19-20H2,1-3H3,(H,28,29,30)
InChIKeyLZTGXINMNDIGNK-UHFFFAOYSA-N
MW464.66 g/mol
LogP3.95
Rot. Bonds8

About 1-[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]-N,N-diethylpiperidine-3-carboxamide

1-[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]-N,N-diethylpiperidine-3-carboxamide (PubChem CID 117090657) has the molecular formula C27H40N6O and a molecular weight of 464.66 g/mol. Its IUPAC name is 1-[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]-N,N-diethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]-N,N-diethylpiperidine-3-carboxamide
PubChem CID117090657
Molecular FormulaC27H40N6O
Molecular Weight464.66 g/mol
Exact Mass464.33
IUPAC Name1-[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(c2ncc(C)c(NC3CCN(Cc4ccccc4)CC3)n2)C1
InChIInChI=1S/C27H40N6O/c1-4-32(5-2)26(34)23-12-9-15-33(20-23)27-28-18-21(3)25(30-27)29-24-13-16-31(17-14-24)19-22-10-7-6-8-11-22/h6-8,10-11,18,23-24H,4-5,9,12-17,19-20H2,1-3H3,(H,28,29,30)
InChIKeyLZTGXINMNDIGNK-UHFFFAOYSA-N
XLogP3.95
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.66
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]-N,N-diethylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-benzylpiperidin-4-yl)-2-[3-(diethylcarbamoyl)piperidin-1-yl]-1,3-thiazole-5-carboxamide
CID 117089997
N-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 117089157
4-[[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]amino]cyclohexan-1-ol
CID 117089717
1-[6-(benzylamino)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-2-yl]-N,N-diethylpiperidine-3-carboxamide
CID 117082323
1-(6-anilino-9-phenylpurin-2-yl)-N,N-diethylpiperidine-3-carboxamide
CID 117081648
N-benzyl-1-[[4-[[3-[benzyl(ethyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-ethylpiperidine-3-carboxamide;hydrobromide
CID 67856003
(3R)-1-[[4-[[(3R)-3-(diethylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide;dihydrobromide
CID 3072460
(3S)-N,N-diethyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 1377142
1-(1-benzylpiperidin-4-yl)-N-ethyl-N-methylpiperidine-3-carboxamide
CID 45171529
N-benzyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide
CID 117094335
(3R)-N,N-diethyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 26458414
(3R)-N,N-diethyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95539498

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]-N,N-diethylpiperidine-3-carboxamide?
The IUPAC name of 1-[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]-N,N-diethylpiperidine-3-carboxamide (CID 117090657) is 1-[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]-N,N-diethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]-N,N-diethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]-N,N-diethylpiperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(c2ncc(C)c(NC3CCN(Cc4ccccc4)CC3)n2)C1.
What is the InChIKey of 1-[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]-N,N-diethylpiperidine-3-carboxamide?
The InChIKey is LZTGXINMNDIGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N6O/c1-4-32(5-2)26(34)23-12-9-15-33(20-23)27-28-18-21(3)25(30-27)29-24-13-16-31(17-14-24)19-22-10-7-6-8-11-22/h6-8,10-11,18,23-24H,4-5,9,12-17,19-20H2,1-3H3,(H,28,29,30).
What are the key properties of 1-[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]-N,N-diethylpiperidine-3-carboxamide?
1-[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]-N,N-diethylpiperidine-3-carboxamide has a molecular weight of 464.66 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-benzylpiperidin-4-yl)amino]-5-methylpyrimidin-2-yl]-N,N-diethylpiperidine-3-carboxamide is sourced from PubChem (CID 117090657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).