2-(dimethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]pentanamide

C20H34N4O — CID 71910704

IUPAC2-(dimethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]pentanamide
SMILESCCCC(C(=O)NCCCN1CCN(c2ccccc2)CC1)N(C)C
InChIInChI=1S/C20H34N4O/c1-4-9-19(22(2)3)20(25)21-12-8-13-23-14-16-24(17-15-23)18-10-6-5-7-11-18/h5-7,10-11,19H,4,8-9,12-17H2,1-3H3,(H,21,25)
InChIKeyYMEKVEBMVNWZBK-UHFFFAOYSA-N
MW346.52 g/mol
LogP2.05
Rot. Bonds9

About 2-(dimethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]pentanamide

2-(dimethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]pentanamide (PubChem CID 71910704) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]pentanamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]pentanamide
PubChem CID71910704
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name2-(dimethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]pentanamide
SMILESCCCC(C(=O)NCCCN1CCN(c2ccccc2)CC1)N(C)C
InChIInChI=1S/C20H34N4O/c1-4-9-19(22(2)3)20(25)21-12-8-13-23-14-16-24(17-15-23)18-10-6-5-7-11-18/h5-7,10-11,19H,4,8-9,12-17H2,1-3H3,(H,21,25)
InChIKeyYMEKVEBMVNWZBK-UHFFFAOYSA-N
XLogP2.05
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-phenylpiperazin-1-yl)propyl]-2-propan-2-ylsulfonylpropanamide
CID 55965939
3-amino-2-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide;trihydrochloride
CID 120504407
(2S)-2-amino-3,3-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide
CID 119901943
(2S)-2-amino-3,3-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide
CID 119902156
1-ethyl-2-[2-(2-hydroxyethyl)pentyl]-3-[3-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111712257
3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55860989
1-(4-hydroxy-3-methylbutan-2-yl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 111454454
3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224470
3,3-diphenyl-N-[4-(4-phenylpiperazin-1-yl)butyl]propanamide
CID 52691963
3-(4-phenylpiperazin-1-yl)propylcarbamodithioic acid
CID 88699307
2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224502
6-oxo-N-[4-(4-phenylpiperazin-1-yl)butyl]-1-propylpyridazine-3-carboxamide
CID 55859833

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]pentanamide?
The IUPAC name of 2-(dimethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]pentanamide (CID 71910704) is 2-(dimethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]pentanamide.
What is the SMILES notation for 2-(dimethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]pentanamide?
The canonical SMILES for 2-(dimethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]pentanamide is CCCC(C(=O)NCCCN1CCN(c2ccccc2)CC1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]pentanamide?
The InChIKey is YMEKVEBMVNWZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-4-9-19(22(2)3)20(25)21-12-8-13-23-14-16-24(17-15-23)18-10-6-5-7-11-18/h5-7,10-11,19H,4,8-9,12-17H2,1-3H3,(H,21,25).
What are the key properties of 2-(dimethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]pentanamide?
2-(dimethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]pentanamide has a molecular weight of 346.52 g/mol, XLogP of 2.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]pentanamide is sourced from PubChem (CID 71910704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).