N-[2-(4-phenylpiperazin-1-yl)propyl]-2-pyrrolidin-2-ylacetamide

C19H30N4O — CID 119902110

IUPACN-[2-(4-phenylpiperazin-1-yl)propyl]-2-pyrrolidin-2-ylacetamide
SMILESCC(CNC(=O)CC1CCCN1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H30N4O/c1-16(15-21-19(24)14-17-6-5-9-20-17)22-10-12-23(13-11-22)18-7-3-2-4-8-18/h2-4,7-8,16-17,20H,5-6,9-15H2,1H3,(H,21,24)
InChIKeyXBNLJOHYSHTEFM-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.46
Rot. Bonds6

About N-[2-(4-phenylpiperazin-1-yl)propyl]-2-pyrrolidin-2-ylacetamide

N-[2-(4-phenylpiperazin-1-yl)propyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119902110) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is N-[2-(4-phenylpiperazin-1-yl)propyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-phenylpiperazin-1-yl)propyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119902110
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC NameN-[2-(4-phenylpiperazin-1-yl)propyl]-2-pyrrolidin-2-ylacetamide
SMILESCC(CNC(=O)CC1CCCN1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H30N4O/c1-16(15-21-19(24)14-17-6-5-9-20-17)22-10-12-23(13-11-22)18-7-3-2-4-8-18/h2-4,7-8,16-17,20H,5-6,9-15H2,1H3,(H,21,24)
InChIKeyXBNLJOHYSHTEFM-UHFFFAOYSA-N
XLogP1.46
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119831446
2-[cyclopropyl(methyl)amino]-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 60504013
N-(2-phenylsulfanylpropyl)-2-pyrrolidin-2-ylacetamide
CID 119804444
N-(2-phenoxypropyl)-2-pyrrolidin-2-ylacetamide
CID 119734660
4-amino-N-[2-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 120566019
N-[2-(dimethylamino)-2-phenylethyl]-2-pyrrolidin-2-ylacetamide
CID 61365271
N-[2-(2-methoxyphenoxy)propyl]-2-pyrrolidin-2-ylacetamide
CID 119804831
N-[2-[benzyl(methyl)amino]propyl]-2-pyrrolidin-2-ylacetamide
CID 119885733
N-[2-oxo-2-[2-(4-phenylpiperazin-1-yl)propylamino]ethyl]adamantane-1-carboxamide
CID 55695142
N-[2-(4-phenylpiperazin-1-yl)propyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167795317
2-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid
CID 62669553
4-hydroxy-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide
CID 119902086

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylpiperazin-1-yl)propyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[2-(4-phenylpiperazin-1-yl)propyl]-2-pyrrolidin-2-ylacetamide (CID 119902110) is N-[2-(4-phenylpiperazin-1-yl)propyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[2-(4-phenylpiperazin-1-yl)propyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[2-(4-phenylpiperazin-1-yl)propyl]-2-pyrrolidin-2-ylacetamide is CC(CNC(=O)CC1CCCN1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[2-(4-phenylpiperazin-1-yl)propyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is XBNLJOHYSHTEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-16(15-21-19(24)14-17-6-5-9-20-17)22-10-12-23(13-11-22)18-7-3-2-4-8-18/h2-4,7-8,16-17,20H,5-6,9-15H2,1H3,(H,21,24).
What are the key properties of N-[2-(4-phenylpiperazin-1-yl)propyl]-2-pyrrolidin-2-ylacetamide?
N-[2-(4-phenylpiperazin-1-yl)propyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 330.48 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylpiperazin-1-yl)propyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119902110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).