N-[6-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-phenylbutanamide

C26H27ClN4O2 — CID 42849885

IUPACN-[6-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)nc1)c1ccccc1
InChIInChI=1S/C26H27ClN4O2/c1-2-23(19-6-4-3-5-7-19)25(32)29-22-12-13-24(28-18-22)30-14-16-31(17-15-30)26(33)20-8-10-21(27)11-9-20/h3-13,18,23H,2,14-17H2,1H3,(H,29,32)
InChIKeyQGGSSWYSKJWCHF-UHFFFAOYSA-N
MW462.98 g/mol
LogP4.83
Rot. Bonds6

About N-[6-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-phenylbutanamide

N-[6-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-phenylbutanamide (PubChem CID 42849885) has the molecular formula C26H27ClN4O2 and a molecular weight of 462.98 g/mol. Its IUPAC name is N-[6-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[6-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-phenylbutanamide
PubChem CID42849885
Molecular FormulaC26H27ClN4O2
Molecular Weight462.98 g/mol
Exact Mass462.18
IUPAC NameN-[6-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)nc1)c1ccccc1
InChIInChI=1S/C26H27ClN4O2/c1-2-23(19-6-4-3-5-7-19)25(32)29-22-12-13-24(28-18-22)30-14-16-31(17-15-30)26(33)20-8-10-21(27)11-9-20/h3-13,18,23H,2,14-17H2,1H3,(H,29,32)
InChIKeyQGGSSWYSKJWCHF-UHFFFAOYSA-N
XLogP4.83
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.98
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylbutanamide
CID 51327852
(2R)-2-phenyl-N-[6-(4-propanoyl-1,4-diazepan-1-yl)-3-pyridinyl]butanamide
CID 92987318
N-(6-morpholin-4-yl-3-pyridinyl)-2-phenylbutanamide
CID 42940174
(2R)-N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-phenylbutanamide
CID 92987360
N-[6-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylacetamide
CID 46053238
N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42849983
4-chloro-N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 42850043
6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide
CID 71094905
(2S)-N-[6-[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylbutanamide
CID 92987363
N-[6-[4-[(3-phenoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylbutanamide
CID 46053929
4-chloro-N-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42850042
[4-(1-aminoethyl)phenyl]-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 166238468

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-phenylbutanamide?
The IUPAC name of N-[6-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-phenylbutanamide (CID 42849885) is N-[6-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-phenylbutanamide.
What is the SMILES notation for N-[6-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-phenylbutanamide?
The canonical SMILES for N-[6-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-phenylbutanamide is CCC(C(=O)Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)nc1)c1ccccc1.
What is the InChIKey of N-[6-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-phenylbutanamide?
The InChIKey is QGGSSWYSKJWCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O2/c1-2-23(19-6-4-3-5-7-19)25(32)29-22-12-13-24(28-18-22)30-14-16-31(17-15-30)26(33)20-8-10-21(27)11-9-20/h3-13,18,23H,2,14-17H2,1H3,(H,29,32).
What are the key properties of N-[6-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-phenylbutanamide?
N-[6-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-phenylbutanamide has a molecular weight of 462.98 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-phenylbutanamide is sourced from PubChem (CID 42849885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).