N-(3-ethoxypropyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide

C18H27FN2O2 — CID 43923972

IUPACN-(3-ethoxypropyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCCOCCCNC(=O)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C18H27FN2O2/c1-2-23-12-6-10-20-18(22)16-8-5-11-21(14-16)13-15-7-3-4-9-17(15)19/h3-4,7,9,16H,2,5-6,8,10-14H2,1H3,(H,20,22)
InChIKeyQNTGIPYTSIJWPM-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.58
Rot. Bonds8

About N-(3-ethoxypropyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide

N-(3-ethoxypropyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 43923972) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID43923972
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC NameN-(3-ethoxypropyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCCOCCCNC(=O)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C18H27FN2O2/c1-2-23-12-6-10-20-18(22)16-8-5-11-21(14-16)13-15-7-3-4-9-17(15)19/h3-4,7,9,16H,2,5-6,8,10-14H2,1H3,(H,20,22)
InChIKeyQNTGIPYTSIJWPM-UHFFFAOYSA-N
XLogP2.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.58
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

1-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918336
1-[(2-fluorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 43924676
N-tert-butyl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43918466
N-(2-ethoxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43919730
1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone
CID 63846661
1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 56758609
N-(3-ethoxypropyl)-4-[(2-fluorophenyl)methyl]piperazine-1-carbothioamide
CID 19291268
N-benzhydryl-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43925897
N-(2-aminoethyl)-1-[(2-bromophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916870
N-[3-(dimethylamino)propyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43926238
1-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 25249290
N-(5-chloro-2-methylphenyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43921605

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide (CID 43923972) is N-(3-ethoxypropyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide is CCOCCCNC(=O)C1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of N-(3-ethoxypropyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is QNTGIPYTSIJWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-2-23-12-6-10-20-18(22)16-8-5-11-21(14-16)13-15-7-3-4-9-17(15)19/h3-4,7,9,16H,2,5-6,8,10-14H2,1H3,(H,20,22).
What are the key properties of N-(3-ethoxypropyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide?
N-(3-ethoxypropyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 322.42 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43923972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).