(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide

C17H26N4O — CID 1452540

IUPAC(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)[C@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C17H26N4O/c22-16(20-15-8-3-1-2-4-9-15)14-7-5-12-21(13-14)17-18-10-6-11-19-17/h6,10-11,14-15H,1-5,7-9,12-13H2,(H,20,22)/t14-/m0/s1
InChIKeyHZTCSOAHDDMBAN-AWEZNQCLSA-N
MW302.42 g/mol
LogP2.53
Rot. Bonds3

About (3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide

(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 1452540) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is (3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID1452540
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)[C@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C17H26N4O/c22-16(20-15-8-3-1-2-4-9-15)14-7-5-12-21(13-14)17-18-10-6-11-19-17/h6,10-11,14-15H,1-5,7-9,12-13H2,(H,20,22)/t14-/m0/s1
InChIKeyHZTCSOAHDDMBAN-AWEZNQCLSA-N
XLogP2.53
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 6557829
(3R)-N-[(1R,2R)-2-methylcyclohexyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7435438
(3R)-N-cyclopropyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 95551990
N-cycloheptyl-1-pyridin-4-ylpiperidine-3-carboxamide
CID 46384630
N-(2,2-dimethyloxan-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 71702861
N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-4-carboxamide
CID 43712323
1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride
CID 45075103
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
N-cyclopropyl-1-(5-ethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 166600796
(3S)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96557652
N-cyclohexyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146126
N-(2-piperidin-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55557554

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 1452540) is (3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide is O=C(NC1CCCCCC1)[C@H]1CCCN(c2ncccn2)C1.
What is the InChIKey of (3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is HZTCSOAHDDMBAN-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N4O/c22-16(20-15-8-3-1-2-4-9-15)14-7-5-12-21(13-14)17-18-10-6-11-19-17/h6,10-11,14-15H,1-5,7-9,12-13H2,(H,20,22)/t14-/m0/s1.
What are the key properties of (3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide?
(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 1452540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).