N-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperidine-1-carboxamide

C21H32N4O2 — CID 126423425

IUPACN-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperidine-1-carboxamide
SMILESCC(C)C(=O)N1CCC[C@@H](CNC(=O)N2CCC(c3ccncc3)CC2)C1
InChIInChI=1S/C21H32N4O2/c1-16(2)20(26)25-11-3-4-17(15-25)14-23-21(27)24-12-7-19(8-13-24)18-5-9-22-10-6-18/h5-6,9-10,16-17,19H,3-4,7-8,11-15H2,1-2H3,(H,23,27)/t17-/m0/s1
InChIKeyCWSGFVYYYQZWQQ-KRWDZBQOSA-N
MW372.51 g/mol
LogP2.87
Rot. Bonds4

About N-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperidine-1-carboxamide

N-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperidine-1-carboxamide (PubChem CID 126423425) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperidine-1-carboxamide
PubChem CID126423425
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC NameN-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperidine-1-carboxamide
SMILESCC(C)C(=O)N1CCC[C@@H](CNC(=O)N2CCC(c3ccncc3)CC2)C1
InChIInChI=1S/C21H32N4O2/c1-16(2)20(26)25-11-3-4-17(15-25)14-23-21(27)24-12-7-19(8-13-24)18-5-9-22-10-6-18/h5-6,9-10,16-17,19H,3-4,7-8,11-15H2,1-2H3,(H,23,27)/t17-/m0/s1
InChIKeyCWSGFVYYYQZWQQ-KRWDZBQOSA-N
XLogP2.87
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperidine-1-carboxamide with MolForge

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Related Compounds

N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 126453634
2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241777
3-[(2-methylpropanoylamino)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 71840428
N-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide
CID 126453543
[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 61204344
2-methyl-1-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 110256025
N-(cyclohexylmethyl)-4-pyridin-4-yloxypiperidine-1-carboxamide
CID 119070282
N-(3,4-dimethylphenyl)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide
CID 71840458
1-[(3R)-3-[[[4-(ethylamino)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 95120094
2-cyclohexyl-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 22585642
(3R)-3-(hydroxymethyl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]piperidine-1-carboxamide
CID 99970481
N-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 119761567

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperidine-1-carboxamide?
The IUPAC name of N-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperidine-1-carboxamide (CID 126423425) is N-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperidine-1-carboxamide?
The canonical SMILES for N-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperidine-1-carboxamide is CC(C)C(=O)N1CCC[C@@H](CNC(=O)N2CCC(c3ccncc3)CC2)C1.
What is the InChIKey of N-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperidine-1-carboxamide?
The InChIKey is CWSGFVYYYQZWQQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-16(2)20(26)25-11-3-4-17(15-25)14-23-21(27)24-12-7-19(8-13-24)18-5-9-22-10-6-18/h5-6,9-10,16-17,19H,3-4,7-8,11-15H2,1-2H3,(H,23,27)/t17-/m0/s1.
What are the key properties of N-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperidine-1-carboxamide?
N-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperidine-1-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-4-pyridin-4-ylpiperidine-1-carboxamide is sourced from PubChem (CID 126423425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).