N-[2-(cyclopropylmethoxy)-4-fluorophenyl]piperidine-3-carboxamide;hydrochloride

C16H22ClFN2O2 — CID 119333297

IUPACN-[2-(cyclopropylmethoxy)-4-fluorophenyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(F)cc1OCC1CC1)C1CCCNC1
InChIInChI=1S/C16H21FN2O2.ClH/c17-13-5-6-14(15(8-13)21-10-11-3-4-11)19-16(20)12-2-1-7-18-9-12;/h5-6,8,11-12,18H,1-4,7,9-10H2,(H,19,20);1H
InChIKeyPATSXLZKRQBIRU-UHFFFAOYSA-N
MW328.81 g/mol
LogP2.97
Rot. Bonds5

About N-[2-(cyclopropylmethoxy)-4-fluorophenyl]piperidine-3-carboxamide;hydrochloride

N-[2-(cyclopropylmethoxy)-4-fluorophenyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119333297) has the molecular formula C16H22ClFN2O2 and a molecular weight of 328.81 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)-4-fluorophenyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)-4-fluorophenyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119333297
Molecular FormulaC16H22ClFN2O2
Molecular Weight328.81 g/mol
Exact Mass328.14
IUPAC NameN-[2-(cyclopropylmethoxy)-4-fluorophenyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(F)cc1OCC1CC1)C1CCCNC1
InChIInChI=1S/C16H21FN2O2.ClH/c17-13-5-6-14(15(8-13)21-10-11-3-4-11)19-16(20)12-2-1-7-18-9-12;/h5-6,8,11-12,18H,1-4,7,9-10H2,(H,19,20);1H
InChIKeyPATSXLZKRQBIRU-UHFFFAOYSA-N
XLogP2.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.81
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(2-ethoxy-4-fluorophenyl)piperidine-3-carboxamide
CID 81124349
N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119324692
N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119321171
(3R)-N-(2-chloro-4-fluorophenyl)piperidine-3-carboxamide
CID 29080451
N-[4-fluoro-2-(4-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 119316632
N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 18072790
N-[2-(cyclopropylmethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119332686
N-(4-methyl-2-propoxyphenyl)piperidine-3-carboxamide
CID 60928613
N-(2-fluoro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119263786
N-(2-phenylmethoxyphenyl)piperidine-3-carboxamide
CID 54794739
N-[4-fluoro-2-(piperidine-3-carbonylamino)phenyl]pyridine-2-carboxamide
CID 119844811
N-(5-fluoro-2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 119336082

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)-4-fluorophenyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(cyclopropylmethoxy)-4-fluorophenyl]piperidine-3-carboxamide;hydrochloride (CID 119333297) is N-[2-(cyclopropylmethoxy)-4-fluorophenyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)-4-fluorophenyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(cyclopropylmethoxy)-4-fluorophenyl]piperidine-3-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(F)cc1OCC1CC1)C1CCCNC1.
What is the InChIKey of N-[2-(cyclopropylmethoxy)-4-fluorophenyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is PATSXLZKRQBIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2.ClH/c17-13-5-6-14(15(8-13)21-10-11-3-4-11)19-16(20)12-2-1-7-18-9-12;/h5-6,8,11-12,18H,1-4,7,9-10H2,(H,19,20);1H.
What are the key properties of N-[2-(cyclopropylmethoxy)-4-fluorophenyl]piperidine-3-carboxamide;hydrochloride?
N-[2-(cyclopropylmethoxy)-4-fluorophenyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 328.81 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)-4-fluorophenyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119333297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).