(2S,4S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide

C16H23ClN2O3 — CID 120624364

IUPAC(2S,4S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide
SMILESCOCCOc1ccc(NC(=O)[C@H]2CCN[C@@H](C)C2)cc1Cl
InChIInChI=1S/C16H23ClN2O3/c1-11-9-12(5-6-18-11)16(20)19-13-3-4-15(14(17)10-13)22-8-7-21-2/h3-4,10-12,18H,5-9H2,1-2H3,(H,19,20)/t11-,12-/m0/s1
InChIKeyJBZGOUKEQMACFD-RYUDHWBXSA-N
MW326.82 g/mol
LogP2.69
Rot. Bonds6

About (2S,4S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120624364) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is (2S,4S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide
PubChem CID120624364
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name(2S,4S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide
SMILESCOCCOc1ccc(NC(=O)[C@H]2CCN[C@@H](C)C2)cc1Cl
InChIInChI=1S/C16H23ClN2O3/c1-11-9-12(5-6-18-11)16(20)19-13-3-4-15(14(17)10-13)22-8-7-21-2/h3-4,10-12,18H,5-9H2,1-2H3,(H,19,20)/t11-,12-/m0/s1
InChIKeyJBZGOUKEQMACFD-RYUDHWBXSA-N
XLogP2.69
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S,4S)-N-[3,5-dichloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120641196
3-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]cyclohexane-1-carboxamide
CID 119739551
N-(3,4-dichlorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738581
(2S,4S)-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120634640
(2S,4S)-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-methylpiperidine-4-carboxamide
CID 120645414
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
N-(4-fluoro-3-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 106740759
(2S,4S)-N-[4-chloro-3-(phenylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120633632
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
(2S,4S)-N-[1-(2-methoxyethyl)indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120641099
(2S,4S)-N-(5-acetamido-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 120617184

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide (CID 120624364) is (2S,4S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide is COCCOc1ccc(NC(=O)[C@H]2CCN[C@@H](C)C2)cc1Cl.
What is the InChIKey of (2S,4S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is JBZGOUKEQMACFD-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-11-9-12(5-6-18-11)16(20)19-13-3-4-15(14(17)10-13)22-8-7-21-2/h3-4,10-12,18H,5-9H2,1-2H3,(H,19,20)/t11-,12-/m0/s1.
What are the key properties of (2S,4S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 326.82 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120624364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).