N-cycloheptyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide

C23H30N4O — CID 53071425

IUPACN-cycloheptyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCCN(c2ccnc(-c3ccccc3)n2)C1
InChIInChI=1S/C23H30N4O/c28-23(25-20-12-6-1-2-7-13-20)19-11-8-16-27(17-19)21-14-15-24-22(26-21)18-9-4-3-5-10-18/h3-5,9-10,14-15,19-20H,1-2,6-8,11-13,16-17H2,(H,25,28)
InChIKeyPOQREEMYDSNLRC-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.20
Rot. Bonds4

About N-cycloheptyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide

N-cycloheptyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 53071425) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is N-cycloheptyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID53071425
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC NameN-cycloheptyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCCN(c2ccnc(-c3ccccc3)n2)C1
InChIInChI=1S/C23H30N4O/c28-23(25-20-12-6-1-2-7-13-20)19-11-8-16-27(17-19)21-14-15-24-22(26-21)18-9-4-3-5-10-18/h3-5,9-10,14-15,19-20H,1-2,6-8,11-13,16-17H2,(H,25,28)
InChIKeyPOQREEMYDSNLRC-UHFFFAOYSA-N
XLogP4.20
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53033911
(3S)-N-(3-phenylpropyl)-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 95070038
(3S)-N-[(2-methylphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 95055787
N-[(4-methoxyphenyl)methyl]-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53071449
N-cyclopropyl-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 49431443
(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452540
N-[3-(N-methylanilino)propyl]-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53071435
N-cyclohexyl-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070976
(3R)-N-benzyl-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 95055768
cyclopropyl-[3-[4-(2-phenylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 56537293
N-cycloheptyl-1-pyridin-4-ylpiperidine-3-carboxamide
CID 46384630
N-(3-fluorophenyl)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 53033873

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-cycloheptyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide (CID 53071425) is N-cycloheptyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide is O=C(NC1CCCCCC1)C1CCCN(c2ccnc(-c3ccccc3)n2)C1.
What is the InChIKey of N-cycloheptyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is POQREEMYDSNLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c28-23(25-20-12-6-1-2-7-13-20)19-11-8-16-27(17-19)21-14-15-24-22(26-21)18-9-4-3-5-10-18/h3-5,9-10,14-15,19-20H,1-2,6-8,11-13,16-17H2,(H,25,28).
What are the key properties of N-cycloheptyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide?
N-cycloheptyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53071425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).