(2S,4S)-N-[4-(2-chlorophenoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride

C19H22Cl2N2O2 — CID 120619213

IUPAC(2S,4S)-N-[4-(2-chlorophenoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)CCN1.Cl
InChIInChI=1S/C19H21ClN2O2.ClH/c1-13-12-14(10-11-21-13)19(23)22-15-6-8-16(9-7-15)24-18-5-3-2-4-17(18)20;/h2-9,13-14,21H,10-12H2,1H3,(H,22,23);1H/t13-,14-;/m0./s1
InChIKeyVZJUAJJRFOHWLQ-IODNYQNNSA-N
MW381.30 g/mol
LogP4.88
Rot. Bonds4

About (2S,4S)-N-[4-(2-chlorophenoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[4-(2-chlorophenoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120619213) has the molecular formula C19H22Cl2N2O2 and a molecular weight of 381.30 g/mol. Its IUPAC name is (2S,4S)-N-[4-(2-chlorophenoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[4-(2-chlorophenoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120619213
Molecular FormulaC19H22Cl2N2O2
Molecular Weight381.30 g/mol
Exact Mass380.11
IUPAC Name(2S,4S)-N-[4-(2-chlorophenoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)CCN1.Cl
InChIInChI=1S/C19H21ClN2O2.ClH/c1-13-12-14(10-11-21-13)19(23)22-15-6-8-16(9-7-15)24-18-5-3-2-4-17(18)20;/h2-9,13-14,21H,10-12H2,1H3,(H,22,23);1H/t13-,14-;/m0./s1
InChIKeyVZJUAJJRFOHWLQ-IODNYQNNSA-N
XLogP4.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
(2S,4S)-N-[4-(3-methoxyphenoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120624482
(2S,4S)-2-methyl-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 120642212
N-(3,4-dichlorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738581
(2S,4S)-N-[4-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616787
(2S,4S)-N-[4-chloro-3-(phenylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120633632
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 120616358
methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 106739126
(2S,4S)-N-(4-chloro-3-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620459
(2S,4S)-N-(4-butan-2-yloxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120624355
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 120616359
(2S,4S)-2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120619364

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[4-(2-chlorophenoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[4-(2-chlorophenoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120619213) is (2S,4S)-N-[4-(2-chlorophenoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[4-(2-chlorophenoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[4-(2-chlorophenoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)CCN1.Cl.
What is the InChIKey of (2S,4S)-N-[4-(2-chlorophenoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is VZJUAJJRFOHWLQ-IODNYQNNSA-N. The full InChI is InChI=1S/C19H21ClN2O2.ClH/c1-13-12-14(10-11-21-13)19(23)22-15-6-8-16(9-7-15)24-18-5-3-2-4-17(18)20;/h2-9,13-14,21H,10-12H2,1H3,(H,22,23);1H/t13-,14-;/m0./s1.
What are the key properties of (2S,4S)-N-[4-(2-chlorophenoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[4-(2-chlorophenoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 381.30 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[4-(2-chlorophenoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120619213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).