4-chloro-2-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide;hydrochloride

C19H29Cl2N3O2 — CID 119712105

IUPAC4-chloro-2-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide;hydrochloride
SMILESCCCNC(=O)c1ccc(Cl)cc1NC(=O)CC(C)C1CCCNC1.Cl
InChIInChI=1S/C19H28ClN3O2.ClH/c1-3-8-22-19(25)16-7-6-15(20)11-17(16)23-18(24)10-13(2)14-5-4-9-21-12-14;/h6-7,11,13-14,21H,3-5,8-10,12H2,1-2H3,(H,22,25)(H,23,24);1H
InChIKeyPMOMINPKRPCGSV-UHFFFAOYSA-N
MW402.37 g/mol
LogP3.87
Rot. Bonds7

About 4-chloro-2-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide;hydrochloride

4-chloro-2-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide;hydrochloride (PubChem CID 119712105) has the molecular formula C19H29Cl2N3O2 and a molecular weight of 402.37 g/mol. Its IUPAC name is 4-chloro-2-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-2-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide;hydrochloride
PubChem CID119712105
Molecular FormulaC19H29Cl2N3O2
Molecular Weight402.37 g/mol
Exact Mass401.16
IUPAC Name4-chloro-2-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide;hydrochloride
SMILESCCCNC(=O)c1ccc(Cl)cc1NC(=O)CC(C)C1CCCNC1.Cl
InChIInChI=1S/C19H28ClN3O2.ClH/c1-3-8-22-19(25)16-7-6-15(20)11-17(16)23-18(24)10-13(2)14-5-4-9-21-12-14;/h6-7,11,13-14,21H,3-5,8-10,12H2,1-2H3,(H,22,25)(H,23,24);1H
InChIKeyPMOMINPKRPCGSV-UHFFFAOYSA-N
XLogP3.87
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.37
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-ethoxyphenyl)-3-piperidin-3-ylbutanamide
CID 119808234
3-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide
CID 119712067
4-chloro-2-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide
CID 119713086
N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670792
N-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119673275
N-(5-acetamido-2-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705041
3-[(3-piperidin-3-ylbutanoylamino)methyl]-N-propylbenzamide
CID 119719799
N-(5-bromo-2-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705936
N,4-dimethyl-3-(3-piperidin-3-ylbutanoylamino)benzamide;hydrochloride
CID 119714058
N-ethyl-3-methyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119714185
N-(2,4-dimethylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670598
2-chloro-N,N-diethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119712533

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide;hydrochloride?
The IUPAC name of 4-chloro-2-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide;hydrochloride (CID 119712105) is 4-chloro-2-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide;hydrochloride.
What is the SMILES notation for 4-chloro-2-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide;hydrochloride?
The canonical SMILES for 4-chloro-2-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide;hydrochloride is CCCNC(=O)c1ccc(Cl)cc1NC(=O)CC(C)C1CCCNC1.Cl.
What is the InChIKey of 4-chloro-2-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide;hydrochloride?
The InChIKey is PMOMINPKRPCGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O2.ClH/c1-3-8-22-19(25)16-7-6-15(20)11-17(16)23-18(24)10-13(2)14-5-4-9-21-12-14;/h6-7,11,13-14,21H,3-5,8-10,12H2,1-2H3,(H,22,25)(H,23,24);1H.
What are the key properties of 4-chloro-2-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide;hydrochloride?
4-chloro-2-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide;hydrochloride has a molecular weight of 402.37 g/mol, XLogP of 3.87, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide;hydrochloride is sourced from PubChem (CID 119712105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).