N-[(1-hydroxycycloheptyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide

C18H28N4O2 — CID 111428735

IUPACN-[(1-hydroxycycloheptyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESO=C(NCC1(O)CCCCCC1)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H28N4O2/c23-16(21-14-18(24)8-3-1-2-4-9-18)15-6-12-22(13-7-15)17-19-10-5-11-20-17/h5,10-11,15,24H,1-4,6-9,12-14H2,(H,21,23)
InChIKeyCJMSUMDQXUUFLV-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.89
Rot. Bonds4

About N-[(1-hydroxycycloheptyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide

N-[(1-hydroxycycloheptyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 111428735) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[(1-hydroxycycloheptyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycycloheptyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID111428735
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[(1-hydroxycycloheptyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESO=C(NCC1(O)CCCCCC1)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C18H28N4O2/c23-16(21-14-18(24)8-3-1-2-4-9-18)15-6-12-22(13-7-15)17-19-10-5-11-20-17/h5,10-11,15,24H,1-4,6-9,12-14H2,(H,21,23)
InChIKeyCJMSUMDQXUUFLV-UHFFFAOYSA-N
XLogP1.89
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3224206
N-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide
CID 65114198
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 40900290
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442082
1-(2,2-dimethylpropanoyl)-N-[(1-hydroxycyclohexyl)methyl]piperidine-4-carboxamide
CID 111445850
N-(3-methoxypropyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 651470
N-[(4-fluorophenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 43814859
2-(1-hydroxycyclohexyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 111331567
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclobutanecarboxamide
CID 112994704
1-(furan-3-carbonyl)-N-[(1-hydroxycyclohexyl)methyl]piperidine-4-carboxamide
CID 111445987
N-(1,4-dimethylcyclohexyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 51103793
N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442114

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide (CID 111428735) is N-[(1-hydroxycycloheptyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1-hydroxycycloheptyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1-hydroxycycloheptyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide is O=C(NCC1(O)CCCCCC1)C1CCN(c2ncccn2)CC1.
What is the InChIKey of N-[(1-hydroxycycloheptyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is CJMSUMDQXUUFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c23-16(21-14-18(24)8-3-1-2-4-9-18)15-6-12-22(13-7-15)17-19-10-5-11-20-17/h5,10-11,15,24H,1-4,6-9,12-14H2,(H,21,23).
What are the key properties of N-[(1-hydroxycycloheptyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
N-[(1-hydroxycycloheptyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycycloheptyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 111428735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).