N-cyclopentyl-4-[[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide

C25H34N4O3 — CID 92637770

IUPACN-cyclopentyl-4-[[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide
SMILESCOc1cccc(OC)c1CN1CCC(Cc2ncncc2C(=O)NC2CCCC2)CC1
InChIInChI=1S/C25H34N4O3/c1-31-23-8-5-9-24(32-2)21(23)16-29-12-10-18(11-13-29)14-22-20(15-26-17-27-22)25(30)28-19-6-3-4-7-19/h5,8-9,15,17-19H,3-4,6-7,10-14,16H2,1-2H3,(H,28,30)
InChIKeyZATFEJDLKKZLTP-UHFFFAOYSA-N
MW438.57 g/mol
LogP3.62
Rot. Bonds8

About N-cyclopentyl-4-[[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide

N-cyclopentyl-4-[[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide (PubChem CID 92637770) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is N-cyclopentyl-4-[[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide
PubChem CID92637770
Molecular FormulaC25H34N4O3
Molecular Weight438.57 g/mol
Exact Mass438.26
IUPAC NameN-cyclopentyl-4-[[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide
SMILESCOc1cccc(OC)c1CN1CCC(Cc2ncncc2C(=O)NC2CCCC2)CC1
InChIInChI=1S/C25H34N4O3/c1-31-23-8-5-9-24(32-2)21(23)16-29-12-10-18(11-13-29)14-22-20(15-26-17-27-22)25(30)28-19-6-3-4-7-19/h5,8-9,15,17-19H,3-4,6-7,10-14,16H2,1-2H3,(H,28,30)
InChIKeyZATFEJDLKKZLTP-UHFFFAOYSA-N
XLogP3.62
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopentyl-4-[[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]methyl]-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 92637692
N-[(2-methoxyphenyl)methyl]-4-[[1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide
CID 92637848
N-[1-(cyclohexylmethyl)piperidin-4-yl]-2,3-dimethoxybenzamide
CID 24848457
N-cyclohexyl-2-ethoxy-3-methoxybenzamide
CID 2988102
5-ethyl-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide
CID 55951357
N-(1-ethylpiperidin-3-yl)-2-hydroxy-3-methoxybenzamide
CID 61151099
N-cyclohexyl-2-[(2,3-dimethoxyphenoxy)methyl]benzamide
CID 91016522
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92636739
2-methoxy-N-[1-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperidin-4-yl]benzamide
CID 92566167
N-[1-(phenylcarbamoyl)piperidin-4-yl]-4-propylpyrimidine-5-carboxamide
CID 77094686
2-methoxy-N-[4-[[4-[(2-methoxybenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide
CID 5173361

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of N-cyclopentyl-4-[[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide (CID 92637770) is N-cyclopentyl-4-[[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide is COc1cccc(OC)c1CN1CCC(Cc2ncncc2C(=O)NC2CCCC2)CC1.
What is the InChIKey of N-cyclopentyl-4-[[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide?
The InChIKey is ZATFEJDLKKZLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3/c1-31-23-8-5-9-24(32-2)21(23)16-29-12-10-18(11-13-29)14-22-20(15-26-17-27-22)25(30)28-19-6-3-4-7-19/h5,8-9,15,17-19H,3-4,6-7,10-14,16H2,1-2H3,(H,28,30).
What are the key properties of N-cyclopentyl-4-[[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide?
N-cyclopentyl-4-[[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide has a molecular weight of 438.57 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 92637770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).