N-benzyl-N-cyclopropyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide

C22H25FN2O3S — CID 38251954

IUPACN-benzyl-N-cyclopropyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C22H25FN2O3S/c23-19-6-10-21(11-7-19)29(27,28)24-14-12-18(13-15-24)22(26)25(20-8-9-20)16-17-4-2-1-3-5-17/h1-7,10-11,18,20H,8-9,12-16H2
InChIKeySDDCAXZZSRRJQD-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.42
Rot. Bonds6

About N-benzyl-N-cyclopropyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide

N-benzyl-N-cyclopropyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 38251954) has the molecular formula C22H25FN2O3S and a molecular weight of 416.52 g/mol. Its IUPAC name is N-benzyl-N-cyclopropyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-cyclopropyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID38251954
Molecular FormulaC22H25FN2O3S
Molecular Weight416.52 g/mol
Exact Mass416.16
IUPAC NameN-benzyl-N-cyclopropyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C22H25FN2O3S/c23-19-6-10-21(11-7-19)29(27,28)24-14-12-18(13-15-24)22(26)25(20-8-9-20)16-17-4-2-1-3-5-17/h1-7,10-11,18,20H,8-9,12-16H2
InChIKeySDDCAXZZSRRJQD-UHFFFAOYSA-N
XLogP3.42
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-N-cyclopropyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 39947147
benzyl-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]carbamic acid
CID 18767815
1-(benzenesulfonyl)-N-benzyl-N-cyclopropylpiperidine-3-carboxamide
CID 46438624
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 31122765
N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 7601399
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26378756
N-benzyl-N-cyclopropyl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 46420855
N,N-diethyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1090954
1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 26415263
1-(benzenesulfonyl)-N-benzyl-N-propylpiperidine-4-carboxamide
CID 26292200
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 17477799
1-(benzenesulfonyl)-N-[4-[(4-fluorobenzoyl)-[(3-methylphenyl)methyl]amino]cyclohexyl]piperidine-4-carboxamide
CID 46105734

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopropyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-benzyl-N-cyclopropyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide (CID 38251954) is N-benzyl-N-cyclopropyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-cyclopropyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-cyclopropyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide is O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N(Cc1ccccc1)C1CC1.
What is the InChIKey of N-benzyl-N-cyclopropyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is SDDCAXZZSRRJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3S/c23-19-6-10-21(11-7-19)29(27,28)24-14-12-18(13-15-24)22(26)25(20-8-9-20)16-17-4-2-1-3-5-17/h1-7,10-11,18,20H,8-9,12-16H2.
What are the key properties of N-benzyl-N-cyclopropyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
N-benzyl-N-cyclopropyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopropyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 38251954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).