1-[(3-fluorophenyl)methyl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide

C25H33FN4O — CID 56523512

IUPAC1-[(3-fluorophenyl)methyl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide
SMILESCN1CCN(c2ccccc2CNC(=O)C2CCCN(Cc3cccc(F)c3)C2)CC1
InChIInChI=1S/C25H33FN4O/c1-28-12-14-30(15-13-28)24-10-3-2-7-21(24)17-27-25(31)22-8-5-11-29(19-22)18-20-6-4-9-23(26)16-20/h2-4,6-7,9-10,16,22H,5,8,11-15,17-19H2,1H3,(H,27,31)
InChIKeyBKZBSNXKWQKCFX-UHFFFAOYSA-N
MW424.56 g/mol
LogP3.11
Rot. Bonds6

About 1-[(3-fluorophenyl)methyl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide

1-[(3-fluorophenyl)methyl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 56523512) has the molecular formula C25H33FN4O and a molecular weight of 424.56 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID56523512
Molecular FormulaC25H33FN4O
Molecular Weight424.56 g/mol
Exact Mass424.26
IUPAC Name1-[(3-fluorophenyl)methyl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide
SMILESCN1CCN(c2ccccc2CNC(=O)C2CCCN(Cc3cccc(F)c3)C2)CC1
InChIInChI=1S/C25H33FN4O/c1-28-12-14-30(15-13-28)24-10-3-2-7-21(24)17-27-25(31)22-8-5-11-29(19-22)18-20-6-4-9-23(26)16-20/h2-4,6-7,9-10,16,22H,5,8,11-15,17-19H2,1H3,(H,27,31)
InChIKeyBKZBSNXKWQKCFX-UHFFFAOYSA-N
XLogP3.11
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.56
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(3-fluorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 95138806
1-(4-fluorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 56517800
(3R)-1-[(3-fluorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94819145
N-[3-(azepan-1-yl)propyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 56545217
(3S)-N-[2-(dimethylamino)-2-oxoethyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94816306
1-[(4-fluorophenyl)methyl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 133204271
N-(2-benzamidoethyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 42962168
1-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]-3-methylurea
CID 86859369
1-[(3-fluorophenyl)methyl]-N-(2-piperazin-1-ylethyl)piperidine-3-carboxamide
CID 119448544
1-(3,5-difluorophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 56517678
N-[3-(cyclopropanecarbonylamino)phenyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 47805198
N,1-dibenzylpiperidine-3-carboxamide
CID 43918745

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide (CID 56523512) is 1-[(3-fluorophenyl)methyl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide is CN1CCN(c2ccccc2CNC(=O)C2CCCN(Cc3cccc(F)c3)C2)CC1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is BKZBSNXKWQKCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN4O/c1-28-12-14-30(15-13-28)24-10-3-2-7-21(24)17-27-25(31)22-8-5-11-29(19-22)18-20-6-4-9-23(26)16-20/h2-4,6-7,9-10,16,22H,5,8,11-15,17-19H2,1H3,(H,27,31).
What are the key properties of 1-[(3-fluorophenyl)methyl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide?
1-[(3-fluorophenyl)methyl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 424.56 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 56523512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).