N-[1-[(6-chloro-2-pyridinyl)methyl]piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide

C24H30ClN3O2 — CID 23289919

IUPACN-[1-[(6-chloro-2-pyridinyl)methyl]piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
SMILESO=C(NC1CCN(Cc2cccc(Cl)n2)CC1)C(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C24H30ClN3O2/c25-22-12-6-11-21(26-22)17-28-15-13-20(14-16-28)27-23(29)24(30,19-9-4-5-10-19)18-7-2-1-3-8-18/h1-3,6-8,11-12,19-20,30H,4-5,9-10,13-17H2,(H,27,29)
InChIKeyWXGWELNSBLSPLW-UHFFFAOYSA-N
MW427.98 g/mol
LogP3.89
Rot. Bonds6

About N-[1-[(6-chloro-2-pyridinyl)methyl]piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide

N-[1-[(6-chloro-2-pyridinyl)methyl]piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide (PubChem CID 23289919) has the molecular formula C24H30ClN3O2 and a molecular weight of 427.98 g/mol. Its IUPAC name is N-[1-[(6-chloro-2-pyridinyl)methyl]piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-[(6-chloro-2-pyridinyl)methyl]piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
PubChem CID23289919
Molecular FormulaC24H30ClN3O2
Molecular Weight427.98 g/mol
Exact Mass427.20
IUPAC NameN-[1-[(6-chloro-2-pyridinyl)methyl]piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
SMILESO=C(NC1CCN(Cc2cccc(Cl)n2)CC1)C(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C24H30ClN3O2/c25-22-12-6-11-21(26-22)17-28-15-13-20(14-16-28)27-23(29)24(30,19-9-4-5-10-19)18-7-2-1-3-8-18/h1-3,6-8,11-12,19-20,30H,4-5,9-10,13-17H2,(H,27,29)
InChIKeyWXGWELNSBLSPLW-UHFFFAOYSA-N
XLogP3.89
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(6-chloro-2-pyridinyl)methyl]piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-[1-[(6-chloro-2-pyridinyl)methyl]piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide (CID 23289919) is N-[1-[(6-chloro-2-pyridinyl)methyl]piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-[1-[(6-chloro-2-pyridinyl)methyl]piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-[1-[(6-chloro-2-pyridinyl)methyl]piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide is O=C(NC1CCN(Cc2cccc(Cl)n2)CC1)C(O)(c1ccccc1)C1CCCC1.
What is the InChIKey of N-[1-[(6-chloro-2-pyridinyl)methyl]piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide?
The InChIKey is WXGWELNSBLSPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O2/c25-22-12-6-11-21(26-22)17-28-15-13-20(14-16-28)27-23(29)24(30,19-9-4-5-10-19)18-7-2-1-3-8-18/h1-3,6-8,11-12,19-20,30H,4-5,9-10,13-17H2,(H,27,29).
What are the key properties of N-[1-[(6-chloro-2-pyridinyl)methyl]piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide?
N-[1-[(6-chloro-2-pyridinyl)methyl]piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide has a molecular weight of 427.98 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(6-chloro-2-pyridinyl)methyl]piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 23289919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).