(2S)-N-[[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperidine-2-carboxamide

C19H31N5O — CID 164633045

IUPAC(2S)-N-[[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperidine-2-carboxamide
SMILESCc1ncc(C)c(N2CCC(CNC(=O)[C@@H]3CCCCN3C)CC2)n1
InChIInChI=1S/C19H31N5O/c1-14-12-20-15(2)22-18(14)24-10-7-16(8-11-24)13-21-19(25)17-6-4-5-9-23(17)3/h12,16-17H,4-11,13H2,1-3H3,(H,21,25)/t17-/m0/s1
InChIKeyNTGPDLBDXGVAAI-KRWDZBQOSA-N
MW345.49 g/mol
LogP1.91
Rot. Bonds4

About (2S)-N-[[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperidine-2-carboxamide

(2S)-N-[[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperidine-2-carboxamide (PubChem CID 164633045) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is (2S)-N-[[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperidine-2-carboxamide
PubChem CID164633045
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name(2S)-N-[[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperidine-2-carboxamide
SMILESCc1ncc(C)c(N2CCC(CNC(=O)[C@@H]3CCCCN3C)CC2)n1
InChIInChI=1S/C19H31N5O/c1-14-12-20-15(2)22-18(14)24-10-7-16(8-11-24)13-21-19(25)17-6-4-5-9-23(17)3/h12,16-17H,4-11,13H2,1-3H3,(H,21,25)/t17-/m0/s1
InChIKeyNTGPDLBDXGVAAI-KRWDZBQOSA-N
XLogP1.91
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 162146805
US11033539, Cpd. No. 21-6
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N-[rel-(3R,4S)-1-(2,5-dimethyl-4-pyrimidinyl)-4-isopropyl-3-pyrrolidinyl]-4,4,4-trifluorobutanamide hydrochloride
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-[[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperidine-2-carboxamide (CID 164633045) is (2S)-N-[[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperidine-2-carboxamide is Cc1ncc(C)c(N2CCC(CNC(=O)[C@@H]3CCCCN3C)CC2)n1.
What is the InChIKey of (2S)-N-[[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperidine-2-carboxamide?
The InChIKey is NTGPDLBDXGVAAI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H31N5O/c1-14-12-20-15(2)22-18(14)24-10-7-16(8-11-24)13-21-19(25)17-6-4-5-9-23(17)3/h12,16-17H,4-11,13H2,1-3H3,(H,21,25)/t17-/m0/s1.
What are the key properties of (2S)-N-[[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperidine-2-carboxamide?
(2S)-N-[[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperidine-2-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[1-(2,5-dimethylpyrimidin-4-yl)piperidin-4-yl]methyl]-1-methylpiperidine-2-carboxamide is sourced from PubChem (CID 164633045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).