N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide

C19H31N5O — CID 98755620

IUPACN-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESC[C@@H]1CCCN(C[C@H](C)NC(=O)C2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C19H31N5O/c1-15-5-3-10-23(13-15)14-16(2)22-18(25)17-6-11-24(12-7-17)19-20-8-4-9-21-19/h4,8-9,15-17H,3,5-7,10-14H2,1-2H3,(H,22,25)/t15-,16+/m1/s1
InChIKeyGXYPZKKOLASQSC-CVEARBPZSA-N
MW345.49 g/mol
LogP1.93
Rot. Bonds5

About N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide

N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 98755620) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID98755620
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC NameN-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESC[C@@H]1CCCN(C[C@H](C)NC(=O)C2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C19H31N5O/c1-15-5-3-10-23(13-15)14-16(2)22-18(25)17-6-11-24(12-7-17)19-20-8-4-9-21-19/h4,8-9,15-17H,3,5-7,10-14H2,1-2H3,(H,22,25)/t15-,16+/m1/s1
InChIKeyGXYPZKKOLASQSC-CVEARBPZSA-N
XLogP1.93
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 98954697
N-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 94618620
(3R)-N-[(2S)-butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7435435
3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577941
N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 100907382
2-hydroxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide
CID 47379683
N-(1,4-dimethylcyclohexyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 51103793
2-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]acetamide
CID 119863261
5-methyl-N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 98750515
N-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]pyrimidine-2-carboxamide
CID 95772449
2-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577595
2-methyl-3-(methylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide;dihydrochloride
CID 119863256

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide (CID 98755620) is N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide is C[C@@H]1CCCN(C[C@H](C)NC(=O)C2CCN(c3ncccn3)CC2)C1.
What is the InChIKey of N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is GXYPZKKOLASQSC-CVEARBPZSA-N. The full InChI is InChI=1S/C19H31N5O/c1-15-5-3-10-23(13-15)14-16(2)22-18(25)17-6-11-24(12-7-17)19-20-8-4-9-21-19/h4,8-9,15-17H,3,5-7,10-14H2,1-2H3,(H,22,25)/t15-,16+/m1/s1.
What are the key properties of N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 98755620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).