4-hydroxy-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide

C18H28N4O2 — CID 119902086

IUPAC4-hydroxy-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide
SMILESCC(CNC(=O)C1CC(O)CN1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H28N4O2/c1-14(12-20-18(24)17-11-16(23)13-19-17)21-7-9-22(10-8-21)15-5-3-2-4-6-15/h2-6,14,16-17,19,23H,7-13H2,1H3,(H,20,24)
InChIKeyVNPWPMPFFRRASJ-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.04
Rot. Bonds5

About 4-hydroxy-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide

4-hydroxy-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide (PubChem CID 119902086) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-hydroxy-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide
PubChem CID119902086
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name4-hydroxy-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide
SMILESCC(CNC(=O)C1CC(O)CN1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H28N4O2/c1-14(12-20-18(24)17-11-16(23)13-19-17)21-7-9-22(10-8-21)15-5-3-2-4-6-15/h2-6,14,16-17,19,23H,7-13H2,1H3,(H,20,24)
InChIKeyVNPWPMPFFRRASJ-UHFFFAOYSA-N
XLogP0.04
TPSA67.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide
CID 119902120
N-[2-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;trihydrochloride
CID 119902119
(2R,4S)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 125138942
(2S,4R)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 125150269
N-[2-(2,3-dihydroindol-1-yl)propyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119856800
N-[2-(4-phenylpiperazin-1-yl)propyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167795317
4-hydroxy-N-(2-methoxy-2-phenylethyl)pyrrolidine-2-carboxamide
CID 119703911
(2S,4R)-4-hydroxy-N-[(2S)-2-methoxy-2-phenylethyl]pyrrolidine-2-carboxamide
CID 125135014
N-[2-(4-phenylpiperazin-1-yl)propyl]-2-pyrrolidin-2-ylacetamide
CID 119902110
(2S,5R)-5-(aminomethyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]oxolane-2-carboxamide
CID 120801620
1-(2-hydroxyethyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea
CID 110894090
4-amino-N-[2-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 120566019

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide (CID 119902086) is 4-hydroxy-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide is CC(CNC(=O)C1CC(O)CN1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-hydroxy-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide?
The InChIKey is VNPWPMPFFRRASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-14(12-20-18(24)17-11-16(23)13-19-17)21-7-9-22(10-8-21)15-5-3-2-4-6-15/h2-6,14,16-17,19,23H,7-13H2,1H3,(H,20,24).
What are the key properties of 4-hydroxy-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide?
4-hydroxy-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119902086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).