N-(2,4-difluorophenyl)-1-(naphthalene-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

C28H24F2N2O2S — CID 55887114

IUPACN-(2,4-difluorophenyl)-1-(naphthalene-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(c1cccc2ccccc12)N1CCC(C(=O)N(Cc2cccs2)c2ccc(F)cc2F)CC1
InChIInChI=1S/C28H24F2N2O2S/c29-21-10-11-26(25(30)17-21)32(18-22-7-4-16-35-22)27(33)20-12-14-31(15-13-20)28(34)24-9-3-6-19-5-1-2-8-23(19)24/h1-11,16-17,20H,12-15,18H2
InChIKeyKTLLOGPYHHJHFW-UHFFFAOYSA-N
MW490.58 g/mol
LogP6.27
Rot. Bonds5

About N-(2,4-difluorophenyl)-1-(naphthalene-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

N-(2,4-difluorophenyl)-1-(naphthalene-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 55887114) has the molecular formula C28H24F2N2O2S and a molecular weight of 490.58 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-(naphthalene-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-(naphthalene-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID55887114
Molecular FormulaC28H24F2N2O2S
Molecular Weight490.58 g/mol
Exact Mass490.15
IUPAC NameN-(2,4-difluorophenyl)-1-(naphthalene-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(c1cccc2ccccc12)N1CCC(C(=O)N(Cc2cccs2)c2ccc(F)cc2F)CC1
InChIInChI=1S/C28H24F2N2O2S/c29-21-10-11-26(25(30)17-21)32(18-22-7-4-16-35-22)27(33)20-12-14-31(15-13-20)28(34)24-9-3-6-19-5-1-2-8-23(19)24/h1-11,16-17,20H,12-15,18H2
InChIKeyKTLLOGPYHHJHFW-UHFFFAOYSA-N
XLogP6.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.58
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorobenzoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 31839249
(3S)-N-(2,4-difluorophenyl)-1-ethyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 96543522
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55429946
N-methyl-1-(naphthalene-1-carbonyl)-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide
CID 27848341
N-(2,4-difluorophenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 75526110
1-(5-chloro-2-methoxybenzoyl)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 55622862
N-(4-fluoro-2-methylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 25492477
N-(2-fluorophenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27396109
(1,1-dioxo-7-thiophen-2-yl-1,4-thiazepan-4-yl)-naphthalen-1-ylmethanone
CID 121191418
azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 27659108
N-[(4-chlorophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27396099
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-2-ylcyclopropyl]methanone
CID 51896777

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1-(naphthalene-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1-(naphthalene-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 55887114) is N-(2,4-difluorophenyl)-1-(naphthalene-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-(naphthalene-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-(naphthalene-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is O=C(c1cccc2ccccc12)N1CCC(C(=O)N(Cc2cccs2)c2ccc(F)cc2F)CC1.
What is the InChIKey of N-(2,4-difluorophenyl)-1-(naphthalene-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is KTLLOGPYHHJHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F2N2O2S/c29-21-10-11-26(25(30)17-21)32(18-22-7-4-16-35-22)27(33)20-12-14-31(15-13-20)28(34)24-9-3-6-19-5-1-2-8-23(19)24/h1-11,16-17,20H,12-15,18H2.
What are the key properties of N-(2,4-difluorophenyl)-1-(naphthalene-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
N-(2,4-difluorophenyl)-1-(naphthalene-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 490.58 g/mol, XLogP of 6.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-(naphthalene-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 55887114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).