2-(9H-carbazol-2-yl)-N-[(4-fluorophenyl)methyl]-N'-(1-methylpiperidin-4-yl)butanediamide

C29H31FN4O2 — CID 163300252

IUPAC2-(9H-carbazol-2-yl)-N-[(4-fluorophenyl)methyl]-N'-(1-methylpiperidin-4-yl)butanediamide
SMILESCN1CCC(NC(=O)CC(C(=O)NCc2ccc(F)cc2)c2ccc3c(c2)[nH]c2ccccc23)CC1
InChIInChI=1S/C29H31FN4O2/c1-34-14-12-22(13-15-34)32-28(35)17-25(29(36)31-18-19-6-9-21(30)10-7-19)20-8-11-24-23-4-2-3-5-26(23)33-27(24)16-20/h2-11,16,22,25,33H,12-15,17-18H2,1H3,(H,31,36)(H,32,35)
InChIKeyOHANBHDXNWGVKP-UHFFFAOYSA-N
MW486.59 g/mol
LogP4.46
Rot. Bonds7

About 2-(9H-carbazol-2-yl)-N-[(4-fluorophenyl)methyl]-N'-(1-methylpiperidin-4-yl)butanediamide

2-(9H-carbazol-2-yl)-N-[(4-fluorophenyl)methyl]-N'-(1-methylpiperidin-4-yl)butanediamide (PubChem CID 163300252) has the molecular formula C29H31FN4O2 and a molecular weight of 486.59 g/mol. Its IUPAC name is 2-(9H-carbazol-2-yl)-N-[(4-fluorophenyl)methyl]-N'-(1-methylpiperidin-4-yl)butanediamide.

Molecular Properties

Compound Name2-(9H-carbazol-2-yl)-N-[(4-fluorophenyl)methyl]-N'-(1-methylpiperidin-4-yl)butanediamide
PubChem CID163300252
Molecular FormulaC29H31FN4O2
Molecular Weight486.59 g/mol
Exact Mass486.24
IUPAC Name2-(9H-carbazol-2-yl)-N-[(4-fluorophenyl)methyl]-N'-(1-methylpiperidin-4-yl)butanediamide
SMILESCN1CCC(NC(=O)CC(C(=O)NCc2ccc(F)cc2)c2ccc3c(c2)[nH]c2ccccc23)CC1
InChIInChI=1S/C29H31FN4O2/c1-34-14-12-22(13-15-34)32-28(35)17-25(29(36)31-18-19-6-9-21(30)10-7-19)20-8-11-24-23-4-2-3-5-26(23)33-27(24)16-20/h2-11,16,22,25,33H,12-15,17-18H2,1H3,(H,31,36)(H,32,35)
InChIKeyOHANBHDXNWGVKP-UHFFFAOYSA-N
XLogP4.46
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646
1-benzyl-3-(1-methylpiperidin-4-yl)urea
CID 11543306
2-(4-fluorophenyl)-2-[(1-methylpiperidin-4-yl)amino]-N-[[4-(2-methylpropoxy)phenyl]methyl]acetamide
CID 175432407
N-benzyl-2-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 110355576
N-(1-methylpiperidin-4-yl)-2-(4-phenylphenyl)acetamide
CID 31098228
N-[1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide
CID 1445052
2-(4-fluorophenyl)-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide
CID 84580171
N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;dihydrochloride
CID 126650805
(2S)-N-(1-methylpiperidin-4-yl)-2-phenylbutanamide
CID 1246145
N-[(4-aminophenyl)methyl]-2-(7-fluoro-9H-carbazol-2-yl)acetamide
CID 163300286
1-ethyl-3-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea
CID 142021620
N-[(4-fluorophenyl)methyl]-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923412

Frequently Asked Questions

What is the IUPAC name of 2-(9H-carbazol-2-yl)-N-[(4-fluorophenyl)methyl]-N'-(1-methylpiperidin-4-yl)butanediamide?
The IUPAC name of 2-(9H-carbazol-2-yl)-N-[(4-fluorophenyl)methyl]-N'-(1-methylpiperidin-4-yl)butanediamide (CID 163300252) is 2-(9H-carbazol-2-yl)-N-[(4-fluorophenyl)methyl]-N'-(1-methylpiperidin-4-yl)butanediamide.
What is the SMILES notation for 2-(9H-carbazol-2-yl)-N-[(4-fluorophenyl)methyl]-N'-(1-methylpiperidin-4-yl)butanediamide?
The canonical SMILES for 2-(9H-carbazol-2-yl)-N-[(4-fluorophenyl)methyl]-N'-(1-methylpiperidin-4-yl)butanediamide is CN1CCC(NC(=O)CC(C(=O)NCc2ccc(F)cc2)c2ccc3c(c2)[nH]c2ccccc23)CC1.
What is the InChIKey of 2-(9H-carbazol-2-yl)-N-[(4-fluorophenyl)methyl]-N'-(1-methylpiperidin-4-yl)butanediamide?
The InChIKey is OHANBHDXNWGVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN4O2/c1-34-14-12-22(13-15-34)32-28(35)17-25(29(36)31-18-19-6-9-21(30)10-7-19)20-8-11-24-23-4-2-3-5-26(23)33-27(24)16-20/h2-11,16,22,25,33H,12-15,17-18H2,1H3,(H,31,36)(H,32,35).
What are the key properties of 2-(9H-carbazol-2-yl)-N-[(4-fluorophenyl)methyl]-N'-(1-methylpiperidin-4-yl)butanediamide?
2-(9H-carbazol-2-yl)-N-[(4-fluorophenyl)methyl]-N'-(1-methylpiperidin-4-yl)butanediamide has a molecular weight of 486.59 g/mol, XLogP of 4.46, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-carbazol-2-yl)-N-[(4-fluorophenyl)methyl]-N'-(1-methylpiperidin-4-yl)butanediamide is sourced from PubChem (CID 163300252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).