1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-6-methylpiperidine-3-carboxamide

C15H21ClN2O2 — CID 63372713

IUPAC1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1c1ccc([C@@H](C)O)cc1Cl
InChIInChI=1S/C15H21ClN2O2/c1-9-3-4-12(15(17)20)8-18(9)14-6-5-11(10(2)19)7-13(14)16/h5-7,9-10,12,19H,3-4,8H2,1-2H3,(H2,17,20)/t9?,10-,12?/m1/s1
InChIKeyNZVNOLNHSSFZOR-SQLBVSGCSA-N
MW296.80 g/mol
LogP2.48
Rot. Bonds3

About 1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-6-methylpiperidine-3-carboxamide

1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-6-methylpiperidine-3-carboxamide (PubChem CID 63372713) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-6-methylpiperidine-3-carboxamide
PubChem CID63372713
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1c1ccc([C@@H](C)O)cc1Cl
InChIInChI=1S/C15H21ClN2O2/c1-9-3-4-12(15(17)20)8-18(9)14-6-5-11(10(2)19)7-13(14)16/h5-7,9-10,12,19H,3-4,8H2,1-2H3,(H2,17,20)/t9?,10-,12?/m1/s1
InChIKeyNZVNOLNHSSFZOR-SQLBVSGCSA-N
XLogP2.48
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-6-methylpiperidine-3-carboxamide (CID 63372713) is 1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1c1ccc([C@@H](C)O)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is NZVNOLNHSSFZOR-SQLBVSGCSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-9-3-4-12(15(17)20)8-18(9)14-6-5-11(10(2)19)7-13(14)16/h5-7,9-10,12,19H,3-4,8H2,1-2H3,(H2,17,20)/t9?,10-,12?/m1/s1.
What are the key properties of 1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-6-methylpiperidine-3-carboxamide?
1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 63372713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).