4-[(2-cyclohexylacetyl)amino]-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide

C25H33N5O3 — CID 166199824

IUPAC4-[(2-cyclohexylacetyl)amino]-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide
SMILESO=C(CC1CCCCC1)NC1CCN(C(=O)Nc2cccc(Cn3cccnc3=O)c2)CC1
InChIInChI=1S/C25H33N5O3/c31-23(17-19-6-2-1-3-7-19)27-21-10-14-29(15-11-21)25(33)28-22-9-4-8-20(16-22)18-30-13-5-12-26-24(30)32/h4-5,8-9,12-13,16,19,21H,1-3,6-7,10-11,14-15,17-18H2,(H,27,31)(H,28,33)
InChIKeyYLKDULRKHYNUPJ-UHFFFAOYSA-N
MW451.57 g/mol
LogP3.37
Rot. Bonds6

About 4-[(2-cyclohexylacetyl)amino]-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide

4-[(2-cyclohexylacetyl)amino]-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide (PubChem CID 166199824) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is 4-[(2-cyclohexylacetyl)amino]-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-cyclohexylacetyl)amino]-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide
PubChem CID166199824
Molecular FormulaC25H33N5O3
Molecular Weight451.57 g/mol
Exact Mass451.26
IUPAC Name4-[(2-cyclohexylacetyl)amino]-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide
SMILESO=C(CC1CCCCC1)NC1CCN(C(=O)Nc2cccc(Cn3cccnc3=O)c2)CC1
InChIInChI=1S/C25H33N5O3/c31-23(17-19-6-2-1-3-7-19)27-21-10-14-29(15-11-21)25(33)28-22-9-4-8-20(16-22)18-30-13-5-12-26-24(30)32/h4-5,8-9,12-13,16,19,21H,1-3,6-7,10-11,14-15,17-18H2,(H,27,31)(H,28,33)
InChIKeyYLKDULRKHYNUPJ-UHFFFAOYSA-N
XLogP3.37
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,5R)-3,5-dimethyl-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide
CID 94153158
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1,4-dicarboxamide
CID 47050358
1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 166181142
4-[(2-cyclopentylacetyl)amino]-N-(4-cyclopropyl-3-fluorophenyl)piperidine-1-carboxamide
CID 119048897
N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 47050346
(3R)-3-hydroxy-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 111431314
3-(hydroxymethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 111443078
(3R)-3-hydroxy-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrrolidine-1-carboxamide
CID 111431403
9-amino-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986638
4-(3-cyclopentylpropanoylamino)-N-phenylpiperidine-1-carboxamide
CID 46700387
1-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea
CID 167757482
1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea
CID 166197402

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclohexylacetyl)amino]-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-[(2-cyclohexylacetyl)amino]-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide (CID 166199824) is 4-[(2-cyclohexylacetyl)amino]-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[(2-cyclohexylacetyl)amino]-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[(2-cyclohexylacetyl)amino]-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide is O=C(CC1CCCCC1)NC1CCN(C(=O)Nc2cccc(Cn3cccnc3=O)c2)CC1.
What is the InChIKey of 4-[(2-cyclohexylacetyl)amino]-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide?
The InChIKey is YLKDULRKHYNUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O3/c31-23(17-19-6-2-1-3-7-19)27-21-10-14-29(15-11-21)25(33)28-22-9-4-8-20(16-22)18-30-13-5-12-26-24(30)32/h4-5,8-9,12-13,16,19,21H,1-3,6-7,10-11,14-15,17-18H2,(H,27,31)(H,28,33).
What are the key properties of 4-[(2-cyclohexylacetyl)amino]-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide?
4-[(2-cyclohexylacetyl)amino]-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclohexylacetyl)amino]-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 166199824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).