(2R)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]piperidine-2-carboxamide

C16H20F2N2O — CID 104913311

IUPAC(2R)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]piperidine-2-carboxamide
SMILESO=C([C@H]1CCCCN1)N(Cc1ccc(F)cc1F)C1CC1
InChIInChI=1S/C16H20F2N2O/c17-12-5-4-11(14(18)9-12)10-20(13-6-7-13)16(21)15-3-1-2-8-19-15/h4-5,9,13,15,19H,1-3,6-8,10H2/t15-/m1/s1
InChIKeyQQDSFDFWSJQULU-OAHLLOKOSA-N
MW294.34 g/mol
LogP2.60
Rot. Bonds4

About (2R)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]piperidine-2-carboxamide

(2R)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]piperidine-2-carboxamide (PubChem CID 104913311) has the molecular formula C16H20F2N2O and a molecular weight of 294.34 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]piperidine-2-carboxamide
PubChem CID104913311
Molecular FormulaC16H20F2N2O
Molecular Weight294.34 g/mol
Exact Mass294.15
IUPAC Name(2R)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]piperidine-2-carboxamide
SMILESO=C([C@H]1CCCCN1)N(Cc1ccc(F)cc1F)C1CC1
InChIInChI=1S/C16H20F2N2O/c17-12-5-4-11(14(18)9-12)10-20(13-6-7-13)16(21)15-3-1-2-8-19-15/h4-5,9,13,15,19H,1-3,6-8,10H2/t15-/m1/s1
InChIKeyQQDSFDFWSJQULU-OAHLLOKOSA-N
XLogP2.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 103795055
(2R)-N-[(4-chlorophenyl)methyl]-N-cyclopropylpiperidine-2-carboxamide
CID 104913309
N-benzyl-N-cyclopropylpiperidine-2-carboxamide
CID 43579225
2-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide
CID 63679516
N-cyclopropyl-N-(pyridin-4-ylmethyl)azepane-2-carboxamide
CID 64562460
N-[(2,4-difluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 60737551
(2S)-N-cyclopropyl-N-(furan-2-ylmethyl)piperidine-2-carboxamide
CID 93369487
2-(2,5-difluorophenyl)-1-piperidin-2-ylethanone
CID 116547766
1-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide
CID 115448025
N-[1-(2,5-difluorophenyl)ethyl]-N-methylazepane-2-carboxamide
CID 64562272
tert-butyl N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]carbamate
CID 63789029
(2S)-2-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
CID 119284890

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]piperidine-2-carboxamide (CID 104913311) is (2R)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]piperidine-2-carboxamide is O=C([C@H]1CCCCN1)N(Cc1ccc(F)cc1F)C1CC1.
What is the InChIKey of (2R)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]piperidine-2-carboxamide?
The InChIKey is QQDSFDFWSJQULU-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H20F2N2O/c17-12-5-4-11(14(18)9-12)10-20(13-6-7-13)16(21)15-3-1-2-8-19-15/h4-5,9,13,15,19H,1-3,6-8,10H2/t15-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]piperidine-2-carboxamide?
(2R)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]piperidine-2-carboxamide has a molecular weight of 294.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 104913311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).