N-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide

C20H24N4O — CID 23609722

IUPACN-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1ccnc(N2CCCC(C(=O)Nc3ccc4c(c3)CCC4)C2)n1
InChIInChI=1S/C20H24N4O/c1-14-9-10-21-20(22-14)24-11-3-6-17(13-24)19(25)23-18-8-7-15-4-2-5-16(15)12-18/h7-10,12,17H,2-6,11,13H2,1H3,(H,23,25)
InChIKeyJVQCHBYKXXAMDX-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.13
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide

N-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 23609722) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID23609722
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1ccnc(N2CCCC(C(=O)Nc3ccc4c(c3)CCC4)C2)n1
InChIInChI=1S/C20H24N4O/c1-14-9-10-21-20(22-14)24-11-3-6-17(13-24)19(25)23-18-8-7-15-4-2-5-16(15)12-18/h7-10,12,17H,2-6,11,13H2,1H3,(H,23,25)
InChIKeyJVQCHBYKXXAMDX-UHFFFAOYSA-N
XLogP3.13
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223383
N-(4-acetamidophenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223397
(3S)-N-(3-chloro-4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452692
(3S)-N-(4-tert-butylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452724
N-(4-tert-butylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223412
(3S)-1-(4-methylpyrimidin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 1452732
1-(4-methylpyrimidin-2-yl)-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 3223401
(3S)-N-(2,3-dihydro-1H-inden-5-yl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 7205261
N-(2,3-dihydro-1H-inden-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 648454
(3R)-N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452556
N-(2,3-dimethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223387
(3R)-N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7436254

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (CID 23609722) is N-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is Cc1ccnc(N2CCCC(C(=O)Nc3ccc4c(c3)CCC4)C2)n1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is JVQCHBYKXXAMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14-9-10-21-20(22-14)24-11-3-6-17(13-24)19(25)23-18-8-7-15-4-2-5-16(15)12-18/h7-10,12,17H,2-6,11,13H2,1H3,(H,23,25).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
N-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 23609722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).