N-[[3-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide

C17H26N2O2 — CID 91518240

IUPACN-[[3-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCOCCCc1cccc(CNC(=O)C2CCCNC2)c1
InChIInChI=1S/C17H26N2O2/c1-21-10-4-7-14-5-2-6-15(11-14)12-19-17(20)16-8-3-9-18-13-16/h2,5-6,11,16,18H,3-4,7-10,12-13H2,1H3,(H,19,20)
InChIKeyGBWQBZNZBLQTDR-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.88
Rot. Bonds7

About N-[[3-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide

N-[[3-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 91518240) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[[3-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID91518240
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[[3-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCOCCCc1cccc(CNC(=O)C2CCCNC2)c1
InChIInChI=1S/C17H26N2O2/c1-21-10-4-7-14-5-2-6-15(11-14)12-19-17(20)16-8-3-9-18-13-16/h2,5-6,11,16,18H,3-4,7-10,12-13H2,1H3,(H,19,20)
InChIKeyGBWQBZNZBLQTDR-UHFFFAOYSA-N
XLogP1.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide
CID 110471905
N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
CID 119295626
N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119847231
N-[(3-carbamoylphenyl)methyl]piperidine-3-carboxamide
CID 61274140
N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119282363
(3S)-N-(4-methoxybutyl)piperidine-3-carboxamide
CID 81139140
methyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate
CID 81139605
N-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrrolidine-3-carboxamide
CID 119842564
N-[(4-butoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119284599
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 94688914
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-[[3-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide (CID 91518240) is N-[[3-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[[3-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[[3-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide is COCCCc1cccc(CNC(=O)C2CCCNC2)c1.
What is the InChIKey of N-[[3-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is GBWQBZNZBLQTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-21-10-4-7-14-5-2-6-15(11-14)12-19-17(20)16-8-3-9-18-13-16/h2,5-6,11,16,18H,3-4,7-10,12-13H2,1H3,(H,19,20).
What are the key properties of N-[[3-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide?
N-[[3-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 91518240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).