N-(3-hydroxy-4-methylpentyl)-3-(4-phenylpiperazin-1-yl)propanamide

C19H31N3O2 — CID 111540277

IUPACN-(3-hydroxy-4-methylpentyl)-3-(4-phenylpiperazin-1-yl)propanamide
SMILESCC(C)C(O)CCNC(=O)CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H31N3O2/c1-16(2)18(23)8-10-20-19(24)9-11-21-12-14-22(15-13-21)17-6-4-3-5-7-17/h3-7,16,18,23H,8-15H2,1-2H3,(H,20,24)
InChIKeyOCWPEQCPLZHGID-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.72
Rot. Bonds8

About N-(3-hydroxy-4-methylpentyl)-3-(4-phenylpiperazin-1-yl)propanamide

N-(3-hydroxy-4-methylpentyl)-3-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 111540277) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylpentyl)-3-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylpentyl)-3-(4-phenylpiperazin-1-yl)propanamide
PubChem CID111540277
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-(3-hydroxy-4-methylpentyl)-3-(4-phenylpiperazin-1-yl)propanamide
SMILESCC(C)C(O)CCNC(=O)CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H31N3O2/c1-16(2)18(23)8-10-20-19(24)9-11-21-12-14-22(15-13-21)17-6-4-3-5-7-17/h3-7,16,18,23H,8-15H2,1-2H3,(H,20,24)
InChIKeyOCWPEQCPLZHGID-UHFFFAOYSA-N
XLogP1.72
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 109002098
1-(3-hydroxy-4-methylpentyl)-3-(1-phenylpiperidin-4-yl)urea
CID 111505174
N-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 109025748
N-[(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 109019767
3-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 109027170
N-[3-(4-phenylpiperazin-1-yl)propyl]-2-propan-2-ylsulfonylpropanamide
CID 55965939
3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224470
3,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide
CID 30899995
N-[(2-fluorophenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 109020701
N-(2-acetamidoethyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 36845543
3-amino-2-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide;trihydrochloride
CID 120504407
N-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide
CID 43071347

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylpentyl)-3-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of N-(3-hydroxy-4-methylpentyl)-3-(4-phenylpiperazin-1-yl)propanamide (CID 111540277) is N-(3-hydroxy-4-methylpentyl)-3-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(3-hydroxy-4-methylpentyl)-3-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(3-hydroxy-4-methylpentyl)-3-(4-phenylpiperazin-1-yl)propanamide is CC(C)C(O)CCNC(=O)CCN1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(3-hydroxy-4-methylpentyl)-3-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is OCWPEQCPLZHGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-16(2)18(23)8-10-20-19(24)9-11-21-12-14-22(15-13-21)17-6-4-3-5-7-17/h3-7,16,18,23H,8-15H2,1-2H3,(H,20,24).
What are the key properties of N-(3-hydroxy-4-methylpentyl)-3-(4-phenylpiperazin-1-yl)propanamide?
N-(3-hydroxy-4-methylpentyl)-3-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 333.48 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylpentyl)-3-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 111540277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).