4-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride

C18H27Cl2N3O2 — CID 119703424

IUPAC4-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride
SMILESCC(CC(=O)NCCNC(=O)c1ccc(Cl)cc1)C1CCNCC1.Cl
InChIInChI=1S/C18H26ClN3O2.ClH/c1-13(14-6-8-20-9-7-14)12-17(23)21-10-11-22-18(24)15-2-4-16(19)5-3-15;/h2-5,13-14,20H,6-12H2,1H3,(H,21,23)(H,22,24);1H
InChIKeyJKTJSSXCCKEQGH-UHFFFAOYSA-N
MW388.34 g/mol
LogP2.63
Rot. Bonds7

About 4-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride

4-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride (PubChem CID 119703424) has the molecular formula C18H27Cl2N3O2 and a molecular weight of 388.34 g/mol. Its IUPAC name is 4-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride
PubChem CID119703424
Molecular FormulaC18H27Cl2N3O2
Molecular Weight388.34 g/mol
Exact Mass387.15
IUPAC Name4-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride
SMILESCC(CC(=O)NCCNC(=O)c1ccc(Cl)cc1)C1CCNCC1.Cl
InChIInChI=1S/C18H26ClN3O2.ClH/c1-13(14-6-8-20-9-7-14)12-17(23)21-10-11-22-18(24)15-2-4-16(19)5-3-15;/h2-5,13-14,20H,6-12H2,1H3,(H,21,23)(H,22,24);1H
InChIKeyJKTJSSXCCKEQGH-UHFFFAOYSA-N
XLogP2.63
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.34
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride
CID 119718894
N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119691370
2-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide
CID 119703578
N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide
CID 119691371
2,6-difluoro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide
CID 119785718
N-butyl-4-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride
CID 119734312
N-[4-(4-chloroanilino)-4-oxobutyl]-3-piperidin-4-ylbutanamide
CID 119738720
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119772684
N-[3-(2,4-dichlorophenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119813601
N-[2-(2,6-difluorophenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119722580
N-[2-(4-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide
CID 119804655
N-[2-[(4-chlorobenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119278612

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride?
The IUPAC name of 4-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride (CID 119703424) is 4-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride?
The canonical SMILES for 4-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride is CC(CC(=O)NCCNC(=O)c1ccc(Cl)cc1)C1CCNCC1.Cl.
What is the InChIKey of 4-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride?
The InChIKey is JKTJSSXCCKEQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2.ClH/c1-13(14-6-8-20-9-7-14)12-17(23)21-10-11-22-18(24)15-2-4-16(19)5-3-15;/h2-5,13-14,20H,6-12H2,1H3,(H,21,23)(H,22,24);1H.
What are the key properties of 4-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride?
4-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride has a molecular weight of 388.34 g/mol, XLogP of 2.63, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride is sourced from PubChem (CID 119703424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).