4-[4-[1-(2-cyclopentylacetyl)piperidin-3-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide

C25H33N5O2 — CID 110266504

IUPAC4-[4-[1-(2-cyclopentylacetyl)piperidin-3-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide
SMILESCN(C)c1ncc(-c2ccc(C(N)=O)cc2)c(C2CCCN(C(=O)CC3CCCC3)C2)n1
InChIInChI=1S/C25H33N5O2/c1-29(2)25-27-15-21(18-9-11-19(12-10-18)24(26)32)23(28-25)20-8-5-13-30(16-20)22(31)14-17-6-3-4-7-17/h9-12,15,17,20H,3-8,13-14,16H2,1-2H3,(H2,26,32)
InChIKeyOBFPFEVJUHFCCC-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.59
Rot. Bonds6

About 4-[4-[1-(2-cyclopentylacetyl)piperidin-3-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide

4-[4-[1-(2-cyclopentylacetyl)piperidin-3-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide (PubChem CID 110266504) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 4-[4-[1-(2-cyclopentylacetyl)piperidin-3-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name4-[4-[1-(2-cyclopentylacetyl)piperidin-3-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide
PubChem CID110266504
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name4-[4-[1-(2-cyclopentylacetyl)piperidin-3-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide
SMILESCN(C)c1ncc(-c2ccc(C(N)=O)cc2)c(C2CCCN(C(=O)CC3CCCC3)C2)n1
InChIInChI=1S/C25H33N5O2/c1-29(2)25-27-15-21(18-9-11-19(12-10-18)24(26)32)23(28-25)20-8-5-13-30(16-20)22(31)14-17-6-3-4-7-17/h9-12,15,17,20H,3-8,13-14,16H2,1-2H3,(H2,26,32)
InChIKeyOBFPFEVJUHFCCC-UHFFFAOYSA-N
XLogP3.59
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide
CID 92617488
4-[2-(dimethylamino)-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 92618063
4-[2-(dimethylamino)-4-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 92618065
[2-[(3R)-3-[5-(4-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl] acetate
CID 124966477
1-[(3R)-3-[5-(4-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone
CID 92617978
1-[(3S)-3-[5-(4-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-ethoxyethanone
CID 124994728
cyclopentyl-[3-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110266500
1-[(3R)-3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92618082
2-[3-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 110266436
2-(5-amino-1,3,4-thiadiazol-2-yl)-1-[3-[5-(4-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110128774
1-[(3S)-3-[5-(4-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 92617470
1-[(2S)-2-[5-(4-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-2-cyclopentylethanone
CID 92616054

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(2-cyclopentylacetyl)piperidin-3-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide?
The IUPAC name of 4-[4-[1-(2-cyclopentylacetyl)piperidin-3-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide (CID 110266504) is 4-[4-[1-(2-cyclopentylacetyl)piperidin-3-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide.
What is the SMILES notation for 4-[4-[1-(2-cyclopentylacetyl)piperidin-3-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide?
The canonical SMILES for 4-[4-[1-(2-cyclopentylacetyl)piperidin-3-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide is CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c(C2CCCN(C(=O)CC3CCCC3)C2)n1.
What is the InChIKey of 4-[4-[1-(2-cyclopentylacetyl)piperidin-3-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide?
The InChIKey is OBFPFEVJUHFCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-29(2)25-27-15-21(18-9-11-19(12-10-18)24(26)32)23(28-25)20-8-5-13-30(16-20)22(31)14-17-6-3-4-7-17/h9-12,15,17,20H,3-8,13-14,16H2,1-2H3,(H2,26,32).
What are the key properties of 4-[4-[1-(2-cyclopentylacetyl)piperidin-3-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide?
4-[4-[1-(2-cyclopentylacetyl)piperidin-3-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide has a molecular weight of 435.57 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(2-cyclopentylacetyl)piperidin-3-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 110266504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).