cyclohexyl-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]methanone

C34H40N4O2 — CID 46879495

IUPACcyclohexyl-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccc2)nc(-c2ccccc2)c1)N1CCN(C2CCN(C(=O)C3CCCCC3)CC2)CC1
InChIInChI=1S/C34H40N4O2/c39-33(28-14-8-3-9-15-28)37-18-16-30(17-19-37)36-20-22-38(23-21-36)34(40)29-24-31(26-10-4-1-5-11-26)35-32(25-29)27-12-6-2-7-13-27/h1-2,4-7,10-13,24-25,28,30H,3,8-9,14-23H2
InChIKeyDCJJPTOOBKPFNO-UHFFFAOYSA-N
MW536.72 g/mol
LogP5.74
Rot. Bonds5

About cyclohexyl-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]methanone

cyclohexyl-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 46879495) has the molecular formula C34H40N4O2 and a molecular weight of 536.72 g/mol. Its IUPAC name is cyclohexyl-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]methanone
PubChem CID46879495
Molecular FormulaC34H40N4O2
Molecular Weight536.72 g/mol
Exact Mass536.32
IUPAC Namecyclohexyl-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccc2)nc(-c2ccccc2)c1)N1CCN(C2CCN(C(=O)C3CCCCC3)CC2)CC1
InChIInChI=1S/C34H40N4O2/c39-33(28-14-8-3-9-15-28)37-18-16-30(17-19-37)36-20-22-38(23-21-36)34(40)29-24-31(26-10-4-1-5-11-26)35-32(25-29)27-12-6-2-7-13-27/h1-2,4-7,10-13,24-25,28,30H,3,8-9,14-23H2
InChIKeyDCJJPTOOBKPFNO-UHFFFAOYSA-N
XLogP5.74
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.72
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

SB 414240
CID 9806459
Pyridine amide, 32
CID 44237006
Pyridine amide, 33
CID 44237007
N-[(1S)-1-cyclohexylethyl]-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline-4-carboxamide
CID 9830361
N-[(1S)-1-cyclohexylethyl]-2-phenyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline-4-carboxamide
CID 9872857
(2,6-Dimethylphenyl)(4-methyl-4-(4-(phenyl(pyridin-3-yl)amino)piperidin-1-yl)piperidin-1-yl)methanone
CID 10163007
4-[(R)-[3-(cyclopropanecarbonylamino)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-N,N-diethylbenzamide
CID 57395445
1-[4-(2-Methylquinoline-4-carbonyl)piperazin-1-yl]ethanone
CID 2421843
(4-Phenylphenyl)-[4-(2-pyridylmethyl)piperazino]methanone
CID 1148103
2-Phenyl-3-piperazin-1-ylmethyl-quinoline-4-carboxylic acid (1-cyclohexyl-ethyl)-amide
CID 9825316
3-(4-Isopropyl-piperazin-1-ylmethyl)-2-phenyl-quinoline-4-carboxylic acid (1,2-dimethyl-propyl)-amide
CID 9828448
N-pentan-3-yl-2-phenyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]quinoline-4-carboxamide
CID 9849950

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]methanone (CID 46879495) is cyclohexyl-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]methanone is O=C(c1cc(-c2ccccc2)nc(-c2ccccc2)c1)N1CCN(C2CCN(C(=O)C3CCCCC3)CC2)CC1.
What is the InChIKey of cyclohexyl-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]methanone?
The InChIKey is DCJJPTOOBKPFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N4O2/c39-33(28-14-8-3-9-15-28)37-18-16-30(17-19-37)36-20-22-38(23-21-36)34(40)29-24-31(26-10-4-1-5-11-26)35-32(25-29)27-12-6-2-7-13-27/h1-2,4-7,10-13,24-25,28,30H,3,8-9,14-23H2.
What are the key properties of cyclohexyl-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]methanone?
cyclohexyl-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 536.72 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 46879495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).