N,2-dimethyl-N-(3-phenoxypropyl)piperidine-4-carboxamide

C17H26N2O2 — CID 106739374

IUPACN,2-dimethyl-N-(3-phenoxypropyl)piperidine-4-carboxamide
SMILESCC1CC(C(=O)N(C)CCCOc2ccccc2)CCN1
InChIInChI=1S/C17H26N2O2/c1-14-13-15(9-10-18-14)17(20)19(2)11-6-12-21-16-7-4-3-5-8-16/h3-5,7-8,14-15,18H,6,9-13H2,1-2H3
InChIKeyNTBNOYVXGWAERC-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.30
Rot. Bonds6

About N,2-dimethyl-N-(3-phenoxypropyl)piperidine-4-carboxamide

N,2-dimethyl-N-(3-phenoxypropyl)piperidine-4-carboxamide (PubChem CID 106739374) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N,2-dimethyl-N-(3-phenoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(3-phenoxypropyl)piperidine-4-carboxamide
PubChem CID106739374
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN,2-dimethyl-N-(3-phenoxypropyl)piperidine-4-carboxamide
SMILESCC1CC(C(=O)N(C)CCCOc2ccccc2)CCN1
InChIInChI=1S/C17H26N2O2/c1-14-13-15(9-10-18-14)17(20)19(2)11-6-12-21-16-7-4-3-5-8-16/h3-5,7-8,14-15,18H,6,9-13H2,1-2H3
InChIKeyNTBNOYVXGWAERC-UHFFFAOYSA-N
XLogP2.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S)-N,2-dimethyl-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride
CID 120617248
(2S,4S)-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120618207
N,2-dimethyl-N-(4-phenylbutyl)piperidine-4-carboxamide
CID 106739419
trans-(1R,3R)-3-amino-N-methyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 97123271
4-[methyl(3-phenoxypropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672844
cis-(1S,3R)-3-hydroxy-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide
CID 91777791
(2S,4S)-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 120618998
3-amino-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide;hydrochloride
CID 119731934
(2S,4S)-2-methyl-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 120617690
N-[3-(3-chlorophenoxy)propyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119298309
(4S)-N,1-dimethyl-2-oxo-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 94168581
(2S)-N-methyl-N-(2-phenoxyethyl)pyrrolidine-2-carboxamide
CID 61164431

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(3-phenoxypropyl)piperidine-4-carboxamide?
The IUPAC name of N,2-dimethyl-N-(3-phenoxypropyl)piperidine-4-carboxamide (CID 106739374) is N,2-dimethyl-N-(3-phenoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-(3-phenoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for N,2-dimethyl-N-(3-phenoxypropyl)piperidine-4-carboxamide is CC1CC(C(=O)N(C)CCCOc2ccccc2)CCN1.
What is the InChIKey of N,2-dimethyl-N-(3-phenoxypropyl)piperidine-4-carboxamide?
The InChIKey is NTBNOYVXGWAERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14-13-15(9-10-18-14)17(20)19(2)11-6-12-21-16-7-4-3-5-8-16/h3-5,7-8,14-15,18H,6,9-13H2,1-2H3.
What are the key properties of N,2-dimethyl-N-(3-phenoxypropyl)piperidine-4-carboxamide?
N,2-dimethyl-N-(3-phenoxypropyl)piperidine-4-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(3-phenoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 106739374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).