(2S,4S)-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide

C18H29N5O — CID 120638469

IUPAC(2S,4S)-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide
SMILESCc1cc(N2CCC(NC(=O)[C@H]3CCN[C@@H](C)C3)CC2)nc(C)n1
InChIInChI=1S/C18H29N5O/c1-12-10-15(4-7-19-12)18(24)22-16-5-8-23(9-6-16)17-11-13(2)20-14(3)21-17/h11-12,15-16,19H,4-10H2,1-3H3,(H,22,24)/t12-,15-/m0/s1
InChIKeyAXTUHEHFTSFKLB-WFASDCNBSA-N
MW331.46 g/mol
LogP1.57
Rot. Bonds3

About (2S,4S)-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide (PubChem CID 120638469) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is (2S,4S)-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide
PubChem CID120638469
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name(2S,4S)-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide
SMILESCc1cc(N2CCC(NC(=O)[C@H]3CCN[C@@H](C)C3)CC2)nc(C)n1
InChIInChI=1S/C18H29N5O/c1-12-10-15(4-7-19-12)18(24)22-16-5-8-23(9-6-16)17-11-13(2)20-14(3)21-17/h11-12,15-16,19H,4-10H2,1-3H3,(H,22,24)/t12-,15-/m0/s1
InChIKeyAXTUHEHFTSFKLB-WFASDCNBSA-N
XLogP1.57
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide (CID 120638469) is (2S,4S)-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide is Cc1cc(N2CCC(NC(=O)[C@H]3CCN[C@@H](C)C3)CC2)nc(C)n1.
What is the InChIKey of (2S,4S)-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide?
The InChIKey is AXTUHEHFTSFKLB-WFASDCNBSA-N. The full InChI is InChI=1S/C18H29N5O/c1-12-10-15(4-7-19-12)18(24)22-16-5-8-23(9-6-16)17-11-13(2)20-14(3)21-17/h11-12,15-16,19H,4-10H2,1-3H3,(H,22,24)/t12-,15-/m0/s1.
What are the key properties of (2S,4S)-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120638469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).