4-[(2-fluorophenyl)methyl]-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide

C23H29FN4O — CID 113107426

IUPAC4-[(2-fluorophenyl)methyl]-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C23H29FN4O/c24-22-7-3-2-6-19(22)18-26-14-16-28(17-15-26)23(29)25-20-8-10-21(11-9-20)27-12-4-1-5-13-27/h2-3,6-11H,1,4-5,12-18H2,(H,25,29)
InChIKeyBBJRYZJSIAVPAL-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.17
Rot. Bonds4

About 4-[(2-fluorophenyl)methyl]-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide

4-[(2-fluorophenyl)methyl]-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide (PubChem CID 113107426) has the molecular formula C23H29FN4O and a molecular weight of 396.51 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl]-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl]-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
PubChem CID113107426
Molecular FormulaC23H29FN4O
Molecular Weight396.51 g/mol
Exact Mass396.23
IUPAC Name4-[(2-fluorophenyl)methyl]-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C23H29FN4O/c24-22-7-3-2-6-19(22)18-26-14-16-28(17-15-26)23(29)25-20-8-10-21(11-9-20)27-12-4-1-5-13-27/h2-3,6-11H,1,4-5,12-18H2,(H,25,29)
InChIKeyBBJRYZJSIAVPAL-UHFFFAOYSA-N
XLogP4.17
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[(2-fluorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 35766423
N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]propanamide
CID 650852
4-[(2-fluorophenyl)methyl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113107411
N-(4-pyrrolidin-1-ylphenyl)azepane-1-carboxamide
CID 108991070
N-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine-1-carboxamide
CID 19293497
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107431
N,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 27534923
3-[(2-fluorophenyl)methylamino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 109020961
2,5-dichloro-N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]benzamide
CID 3971845
N-cycloheptyl-4-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107381
N-(4-chlorophenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 110412057
3-[(2-fluorophenyl)methylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109020960

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl]-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(2-fluorophenyl)methyl]-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide (CID 113107426) is 4-[(2-fluorophenyl)methyl]-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl]-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(2-fluorophenyl)methyl]-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide is O=C(Nc1ccc(N2CCCCC2)cc1)N1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of 4-[(2-fluorophenyl)methyl]-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide?
The InChIKey is BBJRYZJSIAVPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O/c24-22-7-3-2-6-19(22)18-26-14-16-28(17-15-26)23(29)25-20-8-10-21(11-9-20)27-12-4-1-5-13-27/h2-3,6-11H,1,4-5,12-18H2,(H,25,29).
What are the key properties of 4-[(2-fluorophenyl)methyl]-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide?
4-[(2-fluorophenyl)methyl]-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide has a molecular weight of 396.51 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl]-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113107426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).