N-[cyclohexyl(phenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide

C26H36N4O — CID 71336050

IUPACN-[cyclohexyl(phenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
SMILESO=C(CCCN1CCN(c2ccccn2)CC1)NC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C26H36N4O/c31-25(28-26(22-10-3-1-4-11-22)23-12-5-2-6-13-23)15-9-17-29-18-20-30(21-19-29)24-14-7-8-16-27-24/h1,3-4,7-8,10-11,14,16,23,26H,2,5-6,9,12-13,15,17-21H2,(H,28,31)
InChIKeyPDACTQZHORRFGC-UHFFFAOYSA-N
MW420.60 g/mol
LogP4.42
Rot. Bonds8

About N-[cyclohexyl(phenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide

N-[cyclohexyl(phenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide (PubChem CID 71336050) has the molecular formula C26H36N4O and a molecular weight of 420.60 g/mol. Its IUPAC name is N-[cyclohexyl(phenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide.

Molecular Properties

Compound NameN-[cyclohexyl(phenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
PubChem CID71336050
Molecular FormulaC26H36N4O
Molecular Weight420.60 g/mol
Exact Mass420.29
IUPAC NameN-[cyclohexyl(phenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
SMILESO=C(CCCN1CCN(c2ccccn2)CC1)NC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C26H36N4O/c31-25(28-26(22-10-3-1-4-11-22)23-12-5-2-6-13-23)15-9-17-29-18-20-30(21-19-29)24-14-7-8-16-27-24/h1,3-4,7-8,10-11,14,16,23,26H,2,5-6,9,12-13,15,17-21H2,(H,28,31)
InChIKeyPDACTQZHORRFGC-UHFFFAOYSA-N
XLogP4.42
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.60
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyclohexyl(phenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 14208395
4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 68740274
N-cycloheptyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4884816
N-(2-amino-2-phenylethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 119527517
(2S)-3-phenyl-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propanoylamino]propanoic acid
CID 119366582
3-chloro-N-[cyclohexyl(phenyl)methyl]propanamide
CID 14208386
4-(4-pyridin-2-ylpiperazin-1-yl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)butanamide
CID 14183215
N-[cyclopropyl(phenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 119164879
N-[cyclohexyl(phenyl)methyl]-3-(1H-imidazol-2-yl)propanamide
CID 14208412
[1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butyl] carbamate
CID 67281606
N-(1-aminohexan-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 119665105
N-(cyclopentylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine
CID 62573579

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(phenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide?
The IUPAC name of N-[cyclohexyl(phenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide (CID 71336050) is N-[cyclohexyl(phenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide.
What is the SMILES notation for N-[cyclohexyl(phenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide?
The canonical SMILES for N-[cyclohexyl(phenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide is O=C(CCCN1CCN(c2ccccn2)CC1)NC(c1ccccc1)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl(phenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide?
The InChIKey is PDACTQZHORRFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O/c31-25(28-26(22-10-3-1-4-11-22)23-12-5-2-6-13-23)15-9-17-29-18-20-30(21-19-29)24-14-7-8-16-27-24/h1,3-4,7-8,10-11,14,16,23,26H,2,5-6,9,12-13,15,17-21H2,(H,28,31).
What are the key properties of N-[cyclohexyl(phenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide?
N-[cyclohexyl(phenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide has a molecular weight of 420.60 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(phenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide is sourced from PubChem (CID 71336050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).