[1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butyl] carbamate

C20H26N4O2 — CID 67281606

IUPAC[1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butyl] carbamate
SMILESNC(=O)OC(CCCN1CCN(c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C20H26N4O2/c21-20(25)26-18(17-7-2-1-3-8-17)9-6-12-23-13-15-24(16-14-23)19-10-4-5-11-22-19/h1-5,7-8,10-11,18H,6,9,12-16H2,(H2,21,25)
InChIKeyKMPZINBUQUOENH-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.82
Rot. Bonds7

About [1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butyl] carbamate

[1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butyl] carbamate (PubChem CID 67281606) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is [1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butyl] carbamate.

Molecular Properties

Compound Name[1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butyl] carbamate
PubChem CID67281606
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name[1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butyl] carbamate
SMILESNC(=O)OC(CCCN1CCN(c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C20H26N4O2/c21-20(25)26-18(17-7-2-1-3-8-17)9-6-12-23-13-15-24(16-14-23)19-10-4-5-11-22-19/h1-5,7-8,10-11,18H,6,9,12-16H2,(H2,21,25)
InChIKeyKMPZINBUQUOENH-UHFFFAOYSA-N
XLogP2.82
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1-phenylbutyl] carbamate
CID 67281993
[1-phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281861
4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 68740274
[(1R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 68632305
[3-[4-(2-methylphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 67281007
3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 11971564
7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
CID 28598378
1-(3-nitroso-3-phenylpropyl)-4-pyridin-2-ylpiperazine
CID 91224251
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
1-(5-chloropentyl)-4-pyridin-2-ylpiperazine
CID 61288750
1-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]-4-pyridin-2-ylpiperazine
CID 11797416
N-(2-amino-2-phenylethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 119527517

Frequently Asked Questions

What is the IUPAC name of [1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butyl] carbamate?
The IUPAC name of [1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butyl] carbamate (CID 67281606) is [1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butyl] carbamate.
What is the SMILES notation for [1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butyl] carbamate?
The canonical SMILES for [1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butyl] carbamate is NC(=O)OC(CCCN1CCN(c2ccccn2)CC1)c1ccccc1.
What is the InChIKey of [1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butyl] carbamate?
The InChIKey is KMPZINBUQUOENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c21-20(25)26-18(17-7-2-1-3-8-17)9-6-12-23-13-15-24(16-14-23)19-10-4-5-11-22-19/h1-5,7-8,10-11,18H,6,9,12-16H2,(H2,21,25).
What are the key properties of [1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butyl] carbamate?
[1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butyl] carbamate has a molecular weight of 354.45 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butyl] carbamate is sourced from PubChem (CID 67281606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).