(3R)-N-(3-chloro-4-piperidin-1-ylphenyl)-3-hydroxypiperidine-1-carboxamide

C17H24ClN3O2 — CID 94819719

IUPAC(3R)-N-(3-chloro-4-piperidin-1-ylphenyl)-3-hydroxypiperidine-1-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)c(Cl)c1)N1CCC[C@@H](O)C1
InChIInChI=1S/C17H24ClN3O2/c18-15-11-13(6-7-16(15)20-8-2-1-3-9-20)19-17(23)21-10-4-5-14(22)12-21/h6-7,11,14,22H,1-5,8-10,12H2,(H,19,23)/t14-/m1/s1
InChIKeyPYXWETUXOBVDSM-CQSZACIVSA-N
MW337.85 g/mol
LogP3.32
Rot. Bonds2

About (3R)-N-(3-chloro-4-piperidin-1-ylphenyl)-3-hydroxypiperidine-1-carboxamide

(3R)-N-(3-chloro-4-piperidin-1-ylphenyl)-3-hydroxypiperidine-1-carboxamide (PubChem CID 94819719) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is (3R)-N-(3-chloro-4-piperidin-1-ylphenyl)-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-chloro-4-piperidin-1-ylphenyl)-3-hydroxypiperidine-1-carboxamide
PubChem CID94819719
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name(3R)-N-(3-chloro-4-piperidin-1-ylphenyl)-3-hydroxypiperidine-1-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)c(Cl)c1)N1CCC[C@@H](O)C1
InChIInChI=1S/C17H24ClN3O2/c18-15-11-13(6-7-16(15)20-8-2-1-3-9-20)19-17(23)21-10-4-5-14(22)12-21/h6-7,11,14,22H,1-5,8-10,12H2,(H,19,23)/t14-/m1/s1
InChIKeyPYXWETUXOBVDSM-CQSZACIVSA-N
XLogP3.32
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-(3,4-dichlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 40973267
N-(3-chlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 17392993
N-(3-chloro-4-piperidin-1-ylphenyl)-4-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
CID 71849114
3-hydroxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperidine-1-carboxamide
CID 53499809
4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
CID 61439140
3-hydroxy-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 110891069
N-[4-(1-aminoethyl)phenyl]-3-hydroxypiperidine-1-carboxamide
CID 61438878
N-(4-chloro-2-fluorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032178
N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide
CID 108987923
3-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide
CID 110890733
1-N-(3-chloro-4-piperidin-1-ylphenyl)-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide
CID 56555074
(3R)-N-(3-chloro-4-methylphenyl)-3-hydroxypiperidine-1-carbothioamide
CID 8669572

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-chloro-4-piperidin-1-ylphenyl)-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of (3R)-N-(3-chloro-4-piperidin-1-ylphenyl)-3-hydroxypiperidine-1-carboxamide (CID 94819719) is (3R)-N-(3-chloro-4-piperidin-1-ylphenyl)-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(3-chloro-4-piperidin-1-ylphenyl)-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(3-chloro-4-piperidin-1-ylphenyl)-3-hydroxypiperidine-1-carboxamide is O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)N1CCC[C@@H](O)C1.
What is the InChIKey of (3R)-N-(3-chloro-4-piperidin-1-ylphenyl)-3-hydroxypiperidine-1-carboxamide?
The InChIKey is PYXWETUXOBVDSM-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c18-15-11-13(6-7-16(15)20-8-2-1-3-9-20)19-17(23)21-10-4-5-14(22)12-21/h6-7,11,14,22H,1-5,8-10,12H2,(H,19,23)/t14-/m1/s1.
What are the key properties of (3R)-N-(3-chloro-4-piperidin-1-ylphenyl)-3-hydroxypiperidine-1-carboxamide?
(3R)-N-(3-chloro-4-piperidin-1-ylphenyl)-3-hydroxypiperidine-1-carboxamide has a molecular weight of 337.85 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-chloro-4-piperidin-1-ylphenyl)-3-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 94819719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).