3-[1-(2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)piperidin-4-yl]-N-phenylpropanamide

C23H26ClN3O2 — CID 42460314

IUPAC3-[1-(2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)piperidin-4-yl]-N-phenylpropanamide
SMILESO=C(CCC1CCN(C(=O)c2cc3c(nc2Cl)CCC3)CC1)Nc1ccccc1
InChIInChI=1S/C23H26ClN3O2/c24-22-19(15-17-5-4-8-20(17)26-22)23(29)27-13-11-16(12-14-27)9-10-21(28)25-18-6-2-1-3-7-18/h1-3,6-7,15-16H,4-5,8-14H2,(H,25,28)
InChIKeyXDOZRJCMBSSXHB-UHFFFAOYSA-N
MW411.93 g/mol
LogP4.49
Rot. Bonds5

About 3-[1-(2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)piperidin-4-yl]-N-phenylpropanamide

3-[1-(2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)piperidin-4-yl]-N-phenylpropanamide (PubChem CID 42460314) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is 3-[1-(2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[1-(2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)piperidin-4-yl]-N-phenylpropanamide
PubChem CID42460314
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC Name3-[1-(2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)piperidin-4-yl]-N-phenylpropanamide
SMILESO=C(CCC1CCN(C(=O)c2cc3c(nc2Cl)CCC3)CC1)Nc1ccccc1
InChIInChI=1S/C23H26ClN3O2/c24-22-19(15-17-5-4-8-20(17)26-22)23(29)27-13-11-16(12-14-27)9-10-21(28)25-18-6-2-1-3-7-18/h1-3,6-7,15-16H,4-5,8-14H2,(H,25,28)
InChIKeyXDOZRJCMBSSXHB-UHFFFAOYSA-N
XLogP4.49
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide
CID 91913390
3-(1-benzoylpiperidin-4-yl)-N-(3-fluorophenyl)propanamide
CID 91913383
3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]-N-phenylpropanamide
CID 42557084
3-(1-benzoylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide
CID 91903809
3-[1-(3,5-dimethyl-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide
CID 26325271
3-[1-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide
CID 26396661
N-(3,5-dimethoxyphenyl)-3-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 91903818
3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-phenylpropanamide
CID 42210371
ethyl 4-[4-(3-anilino-3-oxopropyl)piperidin-1-yl]piperidine-1-carboxylate
CID 42148156
3-[1-(2-acetylbenzoyl)piperidin-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 42195060
N-(2-chlorophenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110858773
4-(3-cyclopentylpropanoylamino)-N-phenylpiperidine-1-carboxamide
CID 46700387

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of 3-[1-(2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)piperidin-4-yl]-N-phenylpropanamide (CID 42460314) is 3-[1-(2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for 3-[1-(2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for 3-[1-(2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)piperidin-4-yl]-N-phenylpropanamide is O=C(CCC1CCN(C(=O)c2cc3c(nc2Cl)CCC3)CC1)Nc1ccccc1.
What is the InChIKey of 3-[1-(2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is XDOZRJCMBSSXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c24-22-19(15-17-5-4-8-20(17)26-22)23(29)27-13-11-16(12-14-27)9-10-21(28)25-18-6-2-1-3-7-18/h1-3,6-7,15-16H,4-5,8-14H2,(H,25,28).
What are the key properties of 3-[1-(2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)piperidin-4-yl]-N-phenylpropanamide?
3-[1-(2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 411.93 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 42460314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).