1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide

C16H20ClFN2O — CID 43921949

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCCN(Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C16H20ClFN2O/c17-14-4-1-5-15(18)13(14)10-20-8-2-3-11(9-20)16(21)19-12-6-7-12/h1,4-5,11-12H,2-3,6-10H2,(H,19,21)
InChIKeyTWFUDKOOCRBIAU-UHFFFAOYSA-N
MW310.80 g/mol
LogP2.97
Rot. Bonds4

About 1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide

1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide (PubChem CID 43921949) has the molecular formula C16H20ClFN2O and a molecular weight of 310.80 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide
PubChem CID43921949
Molecular FormulaC16H20ClFN2O
Molecular Weight310.80 g/mol
Exact Mass310.12
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCCN(Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C16H20ClFN2O/c17-14-4-1-5-15(18)13(14)10-20-8-2-3-11(9-20)16(21)19-12-6-7-12/h1,4-5,11-12H,2-3,6-10H2,(H,19,21)
InChIKeyTWFUDKOOCRBIAU-UHFFFAOYSA-N
XLogP2.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.80
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Uamc00039
CID 11232124
2-(S)-Amino-4-(2-chloro-benzylamino)-1-piperidin-1-yl-butan-1-one
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(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-fluoro-piperidin-1-yl)-butan-1-one
CID 11450265
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(3-fluoro-piperidin-1-yl)-butan-1-one
CID 11450266
(2S,4S)-4-(4-chlorobenzylamino)-2-amino-1-(piperidin-1-yl)pentan-1-one
CID 16046127
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-6-fluorophenyl)acetamide
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1-cyclopropyl-N-(2,3-difluorobenzyl)-6-oxo-3-piperidinecarboxamide
CID 24793923
2-(3-Chloro-phenyl)-N-[1-(4-fluoro-benzyl)-piperidin-4-yl]-acetamide
CID 9841846
N-(1-benzylpiperidin-4-yl)-2-(2-chlorophenyl)acetamide
CID 10736122
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(2-methyl-piperidin-1-yl)-butan-1-one
CID 11359214
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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide (CID 43921949) is 1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide is O=C(NC1CC1)C1CCCN(Cc2c(F)cccc2Cl)C1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide?
The InChIKey is TWFUDKOOCRBIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN2O/c17-14-4-1-5-15(18)13(14)10-20-8-2-3-11(9-20)16(21)19-12-6-7-12/h1,4-5,11-12H,2-3,6-10H2,(H,19,21).
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide?
1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide has a molecular weight of 310.80 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide is sourced from PubChem (CID 43921949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).