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

C18H26ClN3O2 — CID 119703578

IUPAC2-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide
SMILESCC(CC(=O)NCCNC(=O)c1ccccc1Cl)C1CCNCC1
InChIInChI=1S/C18H26ClN3O2/c1-13(14-6-8-20-9-7-14)12-17(23)21-10-11-22-18(24)15-4-2-3-5-16(15)19/h2-5,13-14,20H,6-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyRRXYFHHCNLGVNM-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.21
Rot. Bonds7

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

2-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide (PubChem CID 119703578) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide
PubChem CID119703578
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name2-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide
SMILESCC(CC(=O)NCCNC(=O)c1ccccc1Cl)C1CCNCC1
InChIInChI=1S/C18H26ClN3O2/c1-13(14-6-8-20-9-7-14)12-17(23)21-10-11-22-18(24)15-4-2-3-5-16(15)19/h2-5,13-14,20H,6-12H2,1H3,(H,21,23)(H,22,24)
InChIKeyRRXYFHHCNLGVNM-UHFFFAOYSA-N
XLogP2.21
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.21
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

N-[2-(2-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119705416
2,6-difluoro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide
CID 119785718
4-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride
CID 119703424
N-[2-(2,3-dichlorophenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119736274
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-piperidin-4-ylbutanamide
CID 119832286
N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675926
N-[2-(2-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119725486
N-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide
CID 119684535
N-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119688197
4-methoxy-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride
CID 119718894
N-[2-(2,6-dimethylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119788057
N-(2-phenylsulfanylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119691430

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide (CID 119703578) is 2-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide is CC(CC(=O)NCCNC(=O)c1ccccc1Cl)C1CCNCC1.
What is the InChIKey of 2-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide?
The InChIKey is RRXYFHHCNLGVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2/c1-13(14-6-8-20-9-7-14)12-17(23)21-10-11-22-18(24)15-4-2-3-5-16(15)19/h2-5,13-14,20H,6-12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 2-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide?
2-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide has a molecular weight of 351.88 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide is sourced from PubChem (CID 119703578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).