N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide

C28H25FN2O2S — CID 55429946

IUPACN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
SMILESO=C(NC(c1ccc(F)cc1)c1cccs1)C1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C28H25FN2O2S/c29-22-12-10-20(11-13-22)26(25-9-4-18-34-25)30-27(32)21-14-16-31(17-15-21)28(33)24-8-3-6-19-5-1-2-7-23(19)24/h1-13,18,21,26H,14-17H2,(H,30,32)
InChIKeyFYBXSHHWJZJCOE-UHFFFAOYSA-N
MW472.59 g/mol
LogP5.80
Rot. Bonds5

About N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide

N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide (PubChem CID 55429946) has the molecular formula C28H25FN2O2S and a molecular weight of 472.59 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
PubChem CID55429946
Molecular FormulaC28H25FN2O2S
Molecular Weight472.59 g/mol
Exact Mass472.16
IUPAC NameN-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
SMILESO=C(NC(c1ccc(F)cc1)c1cccs1)C1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C28H25FN2O2S/c29-22-12-10-20(11-13-22)26(25-9-4-18-34-25)30-27(32)21-14-16-31(17-15-21)28(33)24-8-3-6-19-5-1-2-7-23(19)24/h1-13,18,21,26H,14-17H2,(H,30,32)
InChIKeyFYBXSHHWJZJCOE-UHFFFAOYSA-N
XLogP5.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorobenzoyl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide
CID 41441647
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 55987080
1-(naphthalene-1-carbonyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 46597648
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55751666
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 134061219
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46580851
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42947169
N-[(1R)-3-methyl-1-phenylbutyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27853385
N-(2-fluorophenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27396109
1-(naphthalene-1-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 17447647
N-(4-fluoro-2-methylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 25492477
1-(naphthalene-1-carbonyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 78863914

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide (CID 55429946) is N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide is O=C(NC(c1ccc(F)cc1)c1cccs1)C1CCN(C(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is FYBXSHHWJZJCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN2O2S/c29-22-12-10-20(11-13-22)26(25-9-4-18-34-25)30-27(32)21-14-16-31(17-15-21)28(33)24-8-3-6-19-5-1-2-7-23(19)24/h1-13,18,21,26H,14-17H2,(H,30,32).
What are the key properties of N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide?
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 472.59 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55429946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).