N-(3-chloro-4-propoxyphenyl)-3-methylpiperidine-2-carboxamide

C16H23ClN2O2 — CID 107067581

IUPACN-(3-chloro-4-propoxyphenyl)-3-methylpiperidine-2-carboxamide
SMILESCCCOc1ccc(NC(=O)C2NCCCC2C)cc1Cl
InChIInChI=1S/C16H23ClN2O2/c1-3-9-21-14-7-6-12(10-13(14)17)19-16(20)15-11(2)5-4-8-18-15/h6-7,10-11,15,18H,3-5,8-9H2,1-2H3,(H,19,20)
InChIKeyAGAUSVUMGJIOGF-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.46
Rot. Bonds5

About N-(3-chloro-4-propoxyphenyl)-3-methylpiperidine-2-carboxamide

N-(3-chloro-4-propoxyphenyl)-3-methylpiperidine-2-carboxamide (PubChem CID 107067581) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is N-(3-chloro-4-propoxyphenyl)-3-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-propoxyphenyl)-3-methylpiperidine-2-carboxamide
PubChem CID107067581
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC NameN-(3-chloro-4-propoxyphenyl)-3-methylpiperidine-2-carboxamide
SMILESCCCOc1ccc(NC(=O)C2NCCCC2C)cc1Cl
InChIInChI=1S/C16H23ClN2O2/c1-3-9-21-14-7-6-12(10-13(14)17)19-16(20)15-11(2)5-4-8-18-15/h6-7,10-11,15,18H,3-5,8-9H2,1-2H3,(H,19,20)
InChIKeyAGAUSVUMGJIOGF-UHFFFAOYSA-N
XLogP3.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-chloro-4-propoxyphenyl)pyrrolidine-2-carboxamide
CID 61179228
N-[3-chloro-4-(dimethylamino)phenyl]-3-methylpiperidine-2-carboxamide
CID 107067583
(2S)-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-2-carboxamide
CID 122081630
(2S)-N-(3-chloro-4-propoxyphenyl)-1-methylpyrrolidine-2-carboxamide
CID 131937126
(2R)-N-(3-chloro-4-ethoxyphenyl)piperidine-2-carboxamide
CID 93359932
3-methyl-N-[4-(propanoylamino)phenyl]piperidine-2-carboxamide
CID 107067422
N-(4-ethylphenyl)-3-methylpiperidine-2-carboxamide
CID 55060316
3-methyl-N-(4-methyl-2-propoxyphenyl)pyrrolidine-2-carboxamide
CID 102778369
N-(3-chloro-4-ethoxyphenyl)azepane-2-carboxamide
CID 64564595
(2S)-N-(3,4-dipropoxyphenyl)piperidine-2-carboxamide
CID 119679429
(2S,4S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120624364
N-(3-ethylphenyl)-3-methylpiperidine-2-carboxamide
CID 62339279

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-propoxyphenyl)-3-methylpiperidine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-propoxyphenyl)-3-methylpiperidine-2-carboxamide (CID 107067581) is N-(3-chloro-4-propoxyphenyl)-3-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-propoxyphenyl)-3-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-propoxyphenyl)-3-methylpiperidine-2-carboxamide is CCCOc1ccc(NC(=O)C2NCCCC2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-propoxyphenyl)-3-methylpiperidine-2-carboxamide?
The InChIKey is AGAUSVUMGJIOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-3-9-21-14-7-6-12(10-13(14)17)19-16(20)15-11(2)5-4-8-18-15/h6-7,10-11,15,18H,3-5,8-9H2,1-2H3,(H,19,20).
What are the key properties of N-(3-chloro-4-propoxyphenyl)-3-methylpiperidine-2-carboxamide?
N-(3-chloro-4-propoxyphenyl)-3-methylpiperidine-2-carboxamide has a molecular weight of 310.83 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-propoxyphenyl)-3-methylpiperidine-2-carboxamide is sourced from PubChem (CID 107067581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).