N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide

C22H30N4O — CID 45191724

IUPACN-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)NC2CCCN(C3Cc4ccccc4C3)C2)n1
InChIInChI=1S/C22H30N4O/c1-16-12-17(2)26(24-16)11-9-22(27)23-20-8-5-10-25(15-20)21-13-18-6-3-4-7-19(18)14-21/h3-4,6-7,12,20-21H,5,8-11,13-15H2,1-2H3,(H,23,27)
InChIKeyWLTUDDNDDKUPBC-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.64
Rot. Bonds5

About N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide

N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide (PubChem CID 45191724) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
PubChem CID45191724
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)NC2CCCN(C3Cc4ccccc4C3)C2)n1
InChIInChI=1S/C22H30N4O/c1-16-12-17(2)26(24-16)11-9-22(27)23-20-8-5-10-25(15-20)21-13-18-6-3-4-7-19(18)14-21/h3-4,6-7,12,20-21H,5,8-11,13-15H2,1-2H3,(H,23,27)
InChIKeyWLTUDDNDDKUPBC-UHFFFAOYSA-N
XLogP2.64
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 45209259
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-phenoxypropanamide
CID 45200396
3-(3,5-dimethylpyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 19557611
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 45196984
3-(3,5-dimethylpyrazol-1-yl)-N-(4-hydroxycyclohexyl)propanamide
CID 43416849
4-(3,5-dimethylpyrazol-1-yl)-N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]butanamide
CID 110107173
4-(3,5-dimethylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]butanamide
CID 131935588
N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-(2,5-dimethoxyphenyl)acetamide
CID 25295085
3-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)propanamide
CID 86772651
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
CID 45214329
N-[(S)-cyclopropyl(phenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 31407290
N-[(3S,7S,8aS)-3-[2-(dimethylamino)-2-oxoethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 155504452

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide (CID 45191724) is N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide is Cc1cc(C)n(CCC(=O)NC2CCCN(C3Cc4ccccc4C3)C2)n1.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The InChIKey is WLTUDDNDDKUPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-16-12-17(2)26(24-16)11-9-22(27)23-20-8-5-10-25(15-20)21-13-18-6-3-4-7-19(18)14-21/h3-4,6-7,12,20-21H,5,8-11,13-15H2,1-2H3,(H,23,27).
What are the key properties of N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide?
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide has a molecular weight of 366.51 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 45191724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).