N-benzyl-4-[(3-fluorophenyl)methyl]piperazine-1-carboxamide

C19H22FN3O — CID 155292939

IUPACN-benzyl-4-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C19H22FN3O/c20-18-8-4-7-17(13-18)15-22-9-11-23(12-10-22)19(24)21-14-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2,(H,21,24)
InChIKeyCDPNNYMTLIOLCH-UHFFFAOYSA-N
MW327.40 g/mol
LogP2.85
Rot. Bonds4

About N-benzyl-4-[(3-fluorophenyl)methyl]piperazine-1-carboxamide

N-benzyl-4-[(3-fluorophenyl)methyl]piperazine-1-carboxamide (PubChem CID 155292939) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is N-benzyl-4-[(3-fluorophenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
PubChem CID155292939
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC NameN-benzyl-4-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C19H22FN3O/c20-18-8-4-7-17(13-18)15-22-9-11-23(12-10-22)19(24)21-14-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2,(H,21,24)
InChIKeyCDPNNYMTLIOLCH-UHFFFAOYSA-N
XLogP2.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(3-fluorophenyl)methylcarbamoyl]piperazin-1-yl]acetic acid
CID 61196137
4-[(3-fluorophenyl)methyl]-N-phenylpiperazine-1-carboxamide
CID 71456901
N,4-dibenzylpiperazine-1-carboxamide;ethane
CID 91343107
4-benzyl-N-[(3-bromophenyl)methyl]piperazine-1-carboxamide
CID 108898851
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
4-[2-(ethylamino)-2-oxoethyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 52581037
4-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 108898587
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 75527446
4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27517759
N-benzyl-4-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113106624
N-[(4-chlorophenyl)methyl]-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195761
cyclopropyl-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 17250044

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(3-fluorophenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-benzyl-4-[(3-fluorophenyl)methyl]piperazine-1-carboxamide (CID 155292939) is N-benzyl-4-[(3-fluorophenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-[(3-fluorophenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-benzyl-4-[(3-fluorophenyl)methyl]piperazine-1-carboxamide is O=C(NCc1ccccc1)N1CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of N-benzyl-4-[(3-fluorophenyl)methyl]piperazine-1-carboxamide?
The InChIKey is CDPNNYMTLIOLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c20-18-8-4-7-17(13-18)15-22-9-11-23(12-10-22)19(24)21-14-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2,(H,21,24).
What are the key properties of N-benzyl-4-[(3-fluorophenyl)methyl]piperazine-1-carboxamide?
N-benzyl-4-[(3-fluorophenyl)methyl]piperazine-1-carboxamide has a molecular weight of 327.40 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(3-fluorophenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 155292939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).