(3R,5S)-N-cyclopentyl-5-[(3-fluorophenoxy)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide

C23H31FN4O2 — CID 56852156

IUPAC(3R,5S)-N-cyclopentyl-5-[(3-fluorophenoxy)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide
SMILESCn1ccnc1CN1C[C@@H](COc2cccc(F)c2)C[C@@H](C(=O)NC2CCCC2)C1
InChIInChI=1S/C23H31FN4O2/c1-27-10-9-25-22(27)15-28-13-17(16-30-21-8-4-5-19(24)12-21)11-18(14-28)23(29)26-20-6-2-3-7-20/h4-5,8-10,12,17-18,20H,2-3,6-7,11,13-16H2,1H3,(H,26,29)/t17-,18+/m0/s1
InChIKeyXAJFFDISXGGWQU-ZWKOTPCHSA-N
MW414.53 g/mol
LogP3.14
Rot. Bonds7

About (3R,5S)-N-cyclopentyl-5-[(3-fluorophenoxy)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide

(3R,5S)-N-cyclopentyl-5-[(3-fluorophenoxy)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 56852156) has the molecular formula C23H31FN4O2 and a molecular weight of 414.53 g/mol. Its IUPAC name is (3R,5S)-N-cyclopentyl-5-[(3-fluorophenoxy)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-N-cyclopentyl-5-[(3-fluorophenoxy)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide
PubChem CID56852156
Molecular FormulaC23H31FN4O2
Molecular Weight414.53 g/mol
Exact Mass414.24
IUPAC Name(3R,5S)-N-cyclopentyl-5-[(3-fluorophenoxy)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide
SMILESCn1ccnc1CN1C[C@@H](COc2cccc(F)c2)C[C@@H](C(=O)NC2CCCC2)C1
InChIInChI=1S/C23H31FN4O2/c1-27-10-9-25-22(27)15-28-13-17(16-30-21-8-4-5-19(24)12-21)11-18(14-28)23(29)26-20-6-2-3-7-20/h4-5,8-10,12,17-18,20H,2-3,6-7,11,13-16H2,1H3,(H,26,29)/t17-,18+/m0/s1
InChIKeyXAJFFDISXGGWQU-ZWKOTPCHSA-N
XLogP3.14
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,5S)-N-cyclopentyl-5-[(3-fluorophenoxy)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3R,5S)-5-[(3-fluorophenoxy)methyl]-N-[(4-methoxyphenyl)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 56854660
(3R,5S)-N-cyclopentyl-5-[(3-fluorophenoxy)methyl]-1-(2-methylpropyl)piperidine-3-carboxamide
CID 56860070
[(3R,5S)-1-[(1-methylimidazol-2-yl)methyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56857620
(3R,5S)-N-[(3,4-dimethoxyphenyl)methyl]-1-[(1-methylimidazol-2-yl)methyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidine-3-carboxamide
CID 56855813
(3R,5S)-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-[(1-methylimidazol-2-yl)methyl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]piperidine-3-carboxamide
CID 56852371
(3R,5S)-1-[(1-methylimidazol-2-yl)methyl]-N-(2-morpholin-4-ylethyl)-5-(pyridin-3-yloxymethyl)piperidine-3-carboxamide
CID 56858217
(3R,5S)-5-[(3-fluorophenoxy)methyl]-N-(oxolan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 56858482
(3R,5S)-5-[(3-fluorophenoxy)methyl]-1-[(4-hydroxyphenyl)methyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 56860922
(3R,5S)-5-[(3-fluorophenoxy)methyl]-N-(2-hydroxyethyl)-1-[(4-hydroxyphenyl)methyl]piperidine-3-carboxamide
CID 56853508
[(3R,5S)-5-[(3-fluorophenoxy)methyl]-1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56857310
1-(3-fluorophenyl)-3-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]urea
CID 95249817
(3R,5S)-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(3-fluorophenoxy)methyl]-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide
CID 56853484

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N-cyclopentyl-5-[(3-fluorophenoxy)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R,5S)-N-cyclopentyl-5-[(3-fluorophenoxy)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide (CID 56852156) is (3R,5S)-N-cyclopentyl-5-[(3-fluorophenoxy)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R,5S)-N-cyclopentyl-5-[(3-fluorophenoxy)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R,5S)-N-cyclopentyl-5-[(3-fluorophenoxy)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide is Cn1ccnc1CN1C[C@@H](COc2cccc(F)c2)C[C@@H](C(=O)NC2CCCC2)C1.
What is the InChIKey of (3R,5S)-N-cyclopentyl-5-[(3-fluorophenoxy)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is XAJFFDISXGGWQU-ZWKOTPCHSA-N. The full InChI is InChI=1S/C23H31FN4O2/c1-27-10-9-25-22(27)15-28-13-17(16-30-21-8-4-5-19(24)12-21)11-18(14-28)23(29)26-20-6-2-3-7-20/h4-5,8-10,12,17-18,20H,2-3,6-7,11,13-16H2,1H3,(H,26,29)/t17-,18+/m0/s1.
What are the key properties of (3R,5S)-N-cyclopentyl-5-[(3-fluorophenoxy)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide?
(3R,5S)-N-cyclopentyl-5-[(3-fluorophenoxy)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 414.53 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N-cyclopentyl-5-[(3-fluorophenoxy)methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 56852156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).