N-cyclopropyl-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide

C16H18F2N2O2 — CID 113002549

IUPACN-cyclopropyl-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(C(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H18F2N2O2/c17-13-4-1-11(9-14(13)18)16(22)20-7-5-10(6-8-20)15(21)19-12-2-3-12/h1,4,9-10,12H,2-3,5-8H2,(H,19,21)
InChIKeyHPABKBMKIHOSCK-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.10
Rot. Bonds3

About N-cyclopropyl-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide

N-cyclopropyl-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide (PubChem CID 113002549) has the molecular formula C16H18F2N2O2 and a molecular weight of 308.33 g/mol. Its IUPAC name is N-cyclopropyl-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide
PubChem CID113002549
Molecular FormulaC16H18F2N2O2
Molecular Weight308.33 g/mol
Exact Mass308.13
IUPAC NameN-cyclopropyl-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(C(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H18F2N2O2/c17-13-4-1-11(9-14(13)18)16(22)20-7-5-10(6-8-20)15(21)19-12-2-3-12/h1,4,9-10,12H,2-3,5-8H2,(H,19,21)
InChIKeyHPABKBMKIHOSCK-UHFFFAOYSA-N
XLogP2.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-1-[4-(dimethylamino)-3-fluorobenzoyl]piperidine-4-carboxamide
CID 51096612
1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide
CID 1072789
1-(3,4-difluorobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 110350917
methyl N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]carbamate
CID 110821660
1-(3,4-difluorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 110350822
N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110821662
N-(4-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide
CID 113007286
1-(3,4-difluorobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 113004061
N-cyclopropyl-1-[4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 55954695
N-cyclopentyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26017391
N-cyclopropyl-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 113002527
4-[1-(3,4-difluorobenzoyl)piperidine-4-carbonyl]piperazine-1-carbaldehyde
CID 113003785

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide (CID 113002549) is N-cyclopropyl-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide is O=C(NC1CC1)C1CCN(C(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-cyclopropyl-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is HPABKBMKIHOSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O2/c17-13-4-1-11(9-14(13)18)16(22)20-7-5-10(6-8-20)15(21)19-12-2-3-12/h1,4,9-10,12H,2-3,5-8H2,(H,19,21).
What are the key properties of N-cyclopropyl-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide?
N-cyclopropyl-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 308.33 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 113002549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).