N-[1-[2-(4-cycloheptylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3-fluorobenzamide

C30H39FN4O2 — CID 46038445

IUPACN-[1-[2-(4-cycloheptylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3-fluorobenzamide
SMILESO=C(NC1CCN(c2ccccc2C(=O)N2CCN(C3CCCCCC3)CC2)CC1)c1cccc(F)c1
InChIInChI=1S/C30H39FN4O2/c31-24-9-7-8-23(22-24)29(36)32-25-14-16-34(17-15-25)28-13-6-5-12-27(28)30(37)35-20-18-33(19-21-35)26-10-3-1-2-4-11-26/h5-9,12-13,22,25-26H,1-4,10-11,14-21H2,(H,32,36)
InChIKeyDUZFJSOTOGRUEY-UHFFFAOYSA-N
MW506.67 g/mol
LogP4.71
Rot. Bonds5

About N-[1-[2-(4-cycloheptylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3-fluorobenzamide

N-[1-[2-(4-cycloheptylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3-fluorobenzamide (PubChem CID 46038445) has the molecular formula C30H39FN4O2 and a molecular weight of 506.67 g/mol. Its IUPAC name is N-[1-[2-(4-cycloheptylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[2-(4-cycloheptylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3-fluorobenzamide
PubChem CID46038445
Molecular FormulaC30H39FN4O2
Molecular Weight506.67 g/mol
Exact Mass506.31
IUPAC NameN-[1-[2-(4-cycloheptylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3-fluorobenzamide
SMILESO=C(NC1CCN(c2ccccc2C(=O)N2CCN(C3CCCCCC3)CC2)CC1)c1cccc(F)c1
InChIInChI=1S/C30H39FN4O2/c31-24-9-7-8-23(22-24)29(36)32-25-14-16-34(17-15-25)28-13-6-5-12-27(28)30(37)35-20-18-33(19-21-35)26-10-3-1-2-4-11-26/h5-9,12-13,22,25-26H,1-4,10-11,14-21H2,(H,32,36)
InChIKeyDUZFJSOTOGRUEY-UHFFFAOYSA-N
XLogP4.71
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.67
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(4-cyclopentylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-methoxybenzamide
CID 46038397
(4-cycloheptylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 828765
N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3,5-difluorobenzamide
CID 46037981
(4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 764831
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 93324056
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-(3-methylbutan-2-yl)benzamide
CID 46037800
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide
CID 93324162
N-[3-(dimethylamino)propyl]-2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]benzamide
CID 42848136
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-2-methylbutyl]benzamide
CID 93324251
2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46038031
2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide
CID 42848178
4-ethyl-N-[1-[2-(4-methylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46156215

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-cycloheptylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3-fluorobenzamide?
The IUPAC name of N-[1-[2-(4-cycloheptylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3-fluorobenzamide (CID 46038445) is N-[1-[2-(4-cycloheptylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[1-[2-(4-cycloheptylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3-fluorobenzamide?
The canonical SMILES for N-[1-[2-(4-cycloheptylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3-fluorobenzamide is O=C(NC1CCN(c2ccccc2C(=O)N2CCN(C3CCCCCC3)CC2)CC1)c1cccc(F)c1.
What is the InChIKey of N-[1-[2-(4-cycloheptylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3-fluorobenzamide?
The InChIKey is DUZFJSOTOGRUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39FN4O2/c31-24-9-7-8-23(22-24)29(36)32-25-14-16-34(17-15-25)28-13-6-5-12-27(28)30(37)35-20-18-33(19-21-35)26-10-3-1-2-4-11-26/h5-9,12-13,22,25-26H,1-4,10-11,14-21H2,(H,32,36).
What are the key properties of N-[1-[2-(4-cycloheptylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3-fluorobenzamide?
N-[1-[2-(4-cycloheptylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3-fluorobenzamide has a molecular weight of 506.67 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-cycloheptylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3-fluorobenzamide is sourced from PubChem (CID 46038445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).