N-[(3-chlorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-N-propylpentanamide

C20H32ClN3O — CID 50970042

IUPACN-[(3-chlorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-N-propylpentanamide
SMILESCCCN(Cc1cccc(Cl)c1)C(=O)CCC(C)N1CCN(C)CC1
InChIInChI=1S/C20H32ClN3O/c1-4-10-24(16-18-6-5-7-19(21)15-18)20(25)9-8-17(2)23-13-11-22(3)12-14-23/h5-7,15,17H,4,8-14,16H2,1-3H3
InChIKeyNSHYOAVNOGHBEV-UHFFFAOYSA-N
MW365.95 g/mol
LogP3.49
Rot. Bonds8

About N-[(3-chlorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-N-propylpentanamide

N-[(3-chlorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-N-propylpentanamide (PubChem CID 50970042) has the molecular formula C20H32ClN3O and a molecular weight of 365.95 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-N-propylpentanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-N-propylpentanamide
PubChem CID50970042
Molecular FormulaC20H32ClN3O
Molecular Weight365.95 g/mol
Exact Mass365.22
IUPAC NameN-[(3-chlorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-N-propylpentanamide
SMILESCCCN(Cc1cccc(Cl)c1)C(=O)CCC(C)N1CCN(C)CC1
InChIInChI=1S/C20H32ClN3O/c1-4-10-24(16-18-6-5-7-19(21)15-18)20(25)9-8-17(2)23-13-11-22(3)12-14-23/h5-7,15,17H,4,8-14,16H2,1-3H3
InChIKeyNSHYOAVNOGHBEV-UHFFFAOYSA-N
XLogP3.49
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.95
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[(3-chlorophenyl)methyl]-N-ethylhexanamide
CID 82852385
N-[(3-chlorophenyl)methyl]-2-[methyl(pyridin-3-ylmethyl)amino]-N-propylacetamide
CID 50952301
N-[(3-chlorophenyl)methyl]-N-ethyl-3-(ethylamino)propanamide
CID 55121332
1-[(3-chlorophenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroquinoxaline
CID 170157030
4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride
CID 120559058
N-[(3-chlorophenyl)methyl]-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-methylacetamide
CID 95326255
2-chloro-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide
CID 39372981
2-[(3-chlorophenyl)methyl-methylamino]-N,N-di(propan-2-yl)acetamide
CID 78790298
2-amino-N-[(3-chlorophenyl)methyl]-N-(2-methoxyethyl)acetamide
CID 39358840
3-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride
CID 119723003
1-N-[(3-chlorophenyl)methyl]-1-N-methylbutane-1,3-diamine;dihydrochloride
CID 50988303
N-benzyl-3-chloro-N-propylbenzamide
CID 71026265

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-N-propylpentanamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-N-propylpentanamide (CID 50970042) is N-[(3-chlorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-N-propylpentanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-N-propylpentanamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-N-propylpentanamide is CCCN(Cc1cccc(Cl)c1)C(=O)CCC(C)N1CCN(C)CC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-N-propylpentanamide?
The InChIKey is NSHYOAVNOGHBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32ClN3O/c1-4-10-24(16-18-6-5-7-19(21)15-18)20(25)9-8-17(2)23-13-11-22(3)12-14-23/h5-7,15,17H,4,8-14,16H2,1-3H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-N-propylpentanamide?
N-[(3-chlorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-N-propylpentanamide has a molecular weight of 365.95 g/mol, XLogP of 3.49, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-N-propylpentanamide is sourced from PubChem (CID 50970042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).