N-cycloheptyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide

C27H36N4O3 — CID 42166830

IUPACN-cycloheptyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)n1cc(C(=O)NC2CCCCCC2)c(=O)c(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C27H36N4O3/c1-20(2)31-18-23(26(33)28-21-10-6-3-4-7-11-21)25(32)24(19-31)27(34)30-16-14-29(15-17-30)22-12-8-5-9-13-22/h5,8-9,12-13,18-21H,3-4,6-7,10-11,14-17H2,1-2H3,(H,28,33)
InChIKeyLMIWLMBRRLGYJU-UHFFFAOYSA-N
MW464.61 g/mol
LogP3.84
Rot. Bonds5

About N-cycloheptyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide

N-cycloheptyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide (PubChem CID 42166830) has the molecular formula C27H36N4O3 and a molecular weight of 464.61 g/mol. Its IUPAC name is N-cycloheptyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide
PubChem CID42166830
Molecular FormulaC27H36N4O3
Molecular Weight464.61 g/mol
Exact Mass464.28
IUPAC NameN-cycloheptyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)n1cc(C(=O)NC2CCCCCC2)c(=O)c(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C27H36N4O3/c1-20(2)31-18-23(26(33)28-21-10-6-3-4-7-11-21)25(32)24(19-31)27(34)30-16-14-29(15-17-30)22-12-8-5-9-13-22/h5,8-9,12-13,18-21H,3-4,6-7,10-11,14-17H2,1-2H3,(H,28,33)
InChIKeyLMIWLMBRRLGYJU-UHFFFAOYSA-N
XLogP3.84
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-5-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 26361626
N-benzyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide
CID 42277870
N-cyclohexyl-3-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109052171
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
N-cyclohexyl-1-cyclopropyl-5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide
CID 42432926
1-cyclohexyl-N-cyclopentyl-4-oxo-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 26339108
N-cyclohexyl-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 42499907
N-cyclohexyl-1-(2-methylpropyl)-4-oxo-5-(thiomorpholine-4-carbonyl)pyridine-3-carboxamide
CID 42463229
N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 52902639
N-(cyclohexylmethyl)-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 42345402
5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 42169511
3-N-cycloheptyl-5-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
CID 26341240

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-cycloheptyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide (CID 42166830) is N-cycloheptyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide is CC(C)n1cc(C(=O)NC2CCCCCC2)c(=O)c(C(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of N-cycloheptyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide?
The InChIKey is LMIWLMBRRLGYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O3/c1-20(2)31-18-23(26(33)28-21-10-6-3-4-7-11-21)25(32)24(19-31)27(34)30-16-14-29(15-17-30)22-12-8-5-9-13-22/h5,8-9,12-13,18-21H,3-4,6-7,10-11,14-17H2,1-2H3,(H,28,33).
What are the key properties of N-cycloheptyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide?
N-cycloheptyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide has a molecular weight of 464.61 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 42166830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).