N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]-2-phenylacetamide;hydrochloride

C20H25ClN4O2 — CID 120730149

IUPACN-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]-2-phenylacetamide;hydrochloride
SMILESCl.O=C(Cc1ccccc1)NCCC(=O)N1CCNCC1c1cccnc1
InChIInChI=1S/C20H24N4O2.ClH/c25-19(13-16-5-2-1-3-6-16)23-10-8-20(26)24-12-11-22-15-18(24)17-7-4-9-21-14-17;/h1-7,9,14,18,22H,8,10-13,15H2,(H,23,25);1H
InChIKeyDXSQFDXMQCLTKA-UHFFFAOYSA-N
MW388.90 g/mol
LogP1.73
Rot. Bonds6

About N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]-2-phenylacetamide;hydrochloride

N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]-2-phenylacetamide;hydrochloride (PubChem CID 120730149) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]-2-phenylacetamide;hydrochloride
PubChem CID120730149
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC NameN-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]-2-phenylacetamide;hydrochloride
SMILESCl.O=C(Cc1ccccc1)NCCC(=O)N1CCNCC1c1cccnc1
InChIInChI=1S/C20H24N4O2.ClH/c25-19(13-16-5-2-1-3-6-16)23-10-8-20(26)24-12-11-22-15-18(24)17-7-4-9-21-14-17;/h1-7,9,14,18,22H,8,10-13,15H2,(H,23,25);1H
InChIKeyDXSQFDXMQCLTKA-UHFFFAOYSA-N
XLogP1.73
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]propanamide
CID 120731122
N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 120740529
N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;hydrochloride
CID 120731431
N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 120731432
2-(4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120731250
N-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 120738732
3-naphthalen-2-yl-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120732001
N-benzyl-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755244
4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
CID 120729213
2-(4-butylphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120730121
2-[benzyl(methyl)amino]-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120731815
3-(2-phenylphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120732026

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]-2-phenylacetamide;hydrochloride?
The IUPAC name of N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]-2-phenylacetamide;hydrochloride (CID 120730149) is N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]-2-phenylacetamide;hydrochloride.
What is the SMILES notation for N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]-2-phenylacetamide;hydrochloride?
The canonical SMILES for N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]-2-phenylacetamide;hydrochloride is Cl.O=C(Cc1ccccc1)NCCC(=O)N1CCNCC1c1cccnc1.
What is the InChIKey of N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]-2-phenylacetamide;hydrochloride?
The InChIKey is DXSQFDXMQCLTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2.ClH/c25-19(13-16-5-2-1-3-6-16)23-10-8-20(26)24-12-11-22-15-18(24)17-7-4-9-21-14-17;/h1-7,9,14,18,22H,8,10-13,15H2,(H,23,25);1H.
What are the key properties of N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]-2-phenylacetamide;hydrochloride?
N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]-2-phenylacetamide;hydrochloride has a molecular weight of 388.90 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 120730149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).