N-cycloheptyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide

C19H30N4O — CID 652382

IUPACN-cycloheptyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)NC3CCCCCC3)CC2)n1
InChIInChI=1S/C19H30N4O/c1-14-13-15(2)21-19(20-14)23-11-9-16(10-12-23)18(24)22-17-7-5-3-4-6-8-17/h13,16-17H,3-12H2,1-2H3,(H,22,24)
InChIKeyAMLCNIMBPGKJHH-UHFFFAOYSA-N
MW330.48 g/mol
LogP3.15
Rot. Bonds3

About N-cycloheptyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide

N-cycloheptyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 652382) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is N-cycloheptyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID652382
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC NameN-cycloheptyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)NC3CCCCCC3)CC2)n1
InChIInChI=1S/C19H30N4O/c1-14-13-15(2)21-19(20-14)23-11-9-16(10-12-23)18(24)22-17-7-5-3-4-6-8-17/h13,16-17H,3-12H2,1-2H3,(H,22,24)
InChIKeyAMLCNIMBPGKJHH-UHFFFAOYSA-N
XLogP3.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide (CID 652382) is N-cycloheptyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide is Cc1cc(C)nc(N2CCC(C(=O)NC3CCCCCC3)CC2)n1.
What is the InChIKey of N-cycloheptyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is AMLCNIMBPGKJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-14-13-15(2)21-19(20-14)23-11-9-16(10-12-23)18(24)22-17-7-5-3-4-6-8-17/h13,16-17H,3-12H2,1-2H3,(H,22,24).
What are the key properties of N-cycloheptyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
N-cycloheptyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 652382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).