N-[2-(4-benzylpiperazin-1-yl)ethyl]-4,4-difluoropiperidine-1-carboxamide

C19H28F2N4O — CID 122566205

IUPACN-[2-(4-benzylpiperazin-1-yl)ethyl]-4,4-difluoropiperidine-1-carboxamide
SMILESO=C(NCCN1CCN(Cc2ccccc2)CC1)N1CCC(F)(F)CC1
InChIInChI=1S/C19H28F2N4O/c20-19(21)6-9-25(10-7-19)18(26)22-8-11-23-12-14-24(15-13-23)16-17-4-2-1-3-5-17/h1-5H,6-16H2,(H,22,26)
InChIKeyKUPIASWFKXMTQW-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.24
Rot. Bonds5

About N-[2-(4-benzylpiperazin-1-yl)ethyl]-4,4-difluoropiperidine-1-carboxamide

N-[2-(4-benzylpiperazin-1-yl)ethyl]-4,4-difluoropiperidine-1-carboxamide (PubChem CID 122566205) has the molecular formula C19H28F2N4O and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)ethyl]-4,4-difluoropiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-4,4-difluoropiperidine-1-carboxamide
PubChem CID122566205
Molecular FormulaC19H28F2N4O
Molecular Weight366.46 g/mol
Exact Mass366.22
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-4,4-difluoropiperidine-1-carboxamide
SMILESO=C(NCCN1CCN(Cc2ccccc2)CC1)N1CCC(F)(F)CC1
InChIInChI=1S/C19H28F2N4O/c20-19(21)6-9-25(10-7-19)18(26)22-8-11-23-12-14-24(15-13-23)16-17-4-2-1-3-5-17/h1-5H,6-16H2,(H,22,26)
InChIKeyKUPIASWFKXMTQW-UHFFFAOYSA-N
XLogP2.24
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dibenzylpiperazine-1-carboxamide;ethane
CID 91343107
(2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylmethoxypropanamide
CID 39301136
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide
CID 39984129
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 39985544
4-[2-[(4-benzylpiperazine-1-carbonyl)amino]ethyl]benzoic acid
CID 174672061
N-[2-(4-benzylpiperazin-1-yl)ethyl]imidazole-1-carboxamide
CID 66735798
4-[2-[(4,4-difluoropiperidine-1-carbonyl)amino]ethyl]benzoic acid
CID 166240238
4-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113107023
4-benzyl-N-(3-phenoxypropyl)piperazine-1-carboxamide
CID 108883110
1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892815
4,4-difluoro-N-[2-(3-methylphenyl)ethyl]piperidine-1-carboxamide
CID 119063968
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-bromobenzamide
CID 14762566

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-4,4-difluoropiperidine-1-carboxamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-4,4-difluoropiperidine-1-carboxamide (CID 122566205) is N-[2-(4-benzylpiperazin-1-yl)ethyl]-4,4-difluoropiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)ethyl]-4,4-difluoropiperidine-1-carboxamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)ethyl]-4,4-difluoropiperidine-1-carboxamide is O=C(NCCN1CCN(Cc2ccccc2)CC1)N1CCC(F)(F)CC1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)ethyl]-4,4-difluoropiperidine-1-carboxamide?
The InChIKey is KUPIASWFKXMTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F2N4O/c20-19(21)6-9-25(10-7-19)18(26)22-8-11-23-12-14-24(15-13-23)16-17-4-2-1-3-5-17/h1-5H,6-16H2,(H,22,26).
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)ethyl]-4,4-difluoropiperidine-1-carboxamide?
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4,4-difluoropiperidine-1-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)ethyl]-4,4-difluoropiperidine-1-carboxamide is sourced from PubChem (CID 122566205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).