N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide

C27H30N4O — CID 55991395

IUPACN-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCc1ccc(CN(C(=O)C2CCN(c3ncccn3)CC2)C2CCc3ccccc32)cc1
InChIInChI=1S/C27H30N4O/c1-20-7-9-21(10-8-20)19-31(25-12-11-22-5-2-3-6-24(22)25)26(32)23-13-17-30(18-14-23)27-28-15-4-16-29-27/h2-10,15-16,23,25H,11-14,17-19H2,1H3
InChIKeyICEHKPMNLXWOQT-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.72
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide

N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 55991395) has the molecular formula C27H30N4O and a molecular weight of 426.56 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID55991395
Molecular FormulaC27H30N4O
Molecular Weight426.56 g/mol
Exact Mass426.24
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCc1ccc(CN(C(=O)C2CCN(c3ncccn3)CC2)C2CCc3ccccc32)cc1
InChIInChI=1S/C27H30N4O/c1-20-7-9-21(10-8-20)19-31(25-12-11-22-5-2-3-6-24(22)25)26(32)23-13-17-30(18-14-23)27-28-15-4-16-29-27/h2-10,15-16,23,25H,11-14,17-19H2,1H3
InChIKeyICEHKPMNLXWOQT-UHFFFAOYSA-N
XLogP4.72
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-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

cis-(1S,3R)-3-[benzyl(2,3-dihydro-1H-inden-1-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 134069273
N-methyl-N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide
CID 8542339
N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 55991521
N-[2-(dimethylamino)ethyl]-N-[(2-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 46989665
2-[2,3-dihydro-1H-inden-1-yl-[(4-methylphenyl)methyl]amino]-N-propylacetamide
CID 60514069
3-acetamido-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 55835228
(4R)-N-(2-chloroprop-2-enyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 95340345
N'-[2-(4-methylphenoxy)acetyl]-1-pyrimidin-2-ylpiperidine-4-carbohydrazide
CID 3223132
[1-(dibenzylamino)-1-oxopropan-2-yl] 1-pyrimidin-2-ylpiperidine-4-carboxylate
CID 55701319
N-benzyl-N-methyl-1-[5-(3-methylphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 53010331
4-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide
CID 47047200
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(4-methylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 78900493

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide (CID 55991395) is N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide is Cc1ccc(CN(C(=O)C2CCN(c3ncccn3)CC2)C2CCc3ccccc32)cc1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is ICEHKPMNLXWOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O/c1-20-7-9-21(10-8-20)19-31(25-12-11-22-5-2-3-6-24(22)25)26(32)23-13-17-30(18-14-23)27-28-15-4-16-29-27/h2-10,15-16,23,25H,11-14,17-19H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 426.56 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 55991395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).