N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-2-carboxamide

C17H23N3O — CID 51219847

IUPACN-(1-propan-2-ylpiperidin-4-yl)-1H-indole-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H23N3O/c1-12(2)20-9-7-14(8-10-20)18-17(21)16-11-13-5-3-4-6-15(13)19-16/h3-6,11-12,14,19H,7-10H2,1-2H3,(H,18,21)
InChIKeyYGZYVBHJLLVOKE-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.77
Rot. Bonds3

About N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-2-carboxamide

N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-2-carboxamide (PubChem CID 51219847) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1-propan-2-ylpiperidin-4-yl)-1H-indole-2-carboxamide
PubChem CID51219847
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(1-propan-2-ylpiperidin-4-yl)-1H-indole-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H23N3O/c1-12(2)20-9-7-14(8-10-20)18-17(21)16-11-13-5-3-4-6-15(13)19-16/h3-6,11-12,14,19H,7-10H2,1-2H3,(H,18,21)
InChIKeyYGZYVBHJLLVOKE-UHFFFAOYSA-N
XLogP2.77
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-methylpyrrolidin-3-yl)-1H-indole-2-carboxamide
CID 61344606
N-(4-aminocyclohexyl)-1H-indole-2-carboxamide
CID 62318715
N-(1-methylpiperidin-3-yl)-1H-indole-2-carboxamide
CID 61212193
N-(3-methylcyclopentyl)-1H-indole-2-carboxamide
CID 114550625
N-(3,4-dimethylcyclohexyl)-1H-indole-2-carboxamide
CID 64742784
N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-2-carboxamide
CID 61237731
N-[1-(1H-indole-2-carbonyl)piperidin-4-yl]acetamide
CID 49349124
methyl 5-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-1H-pyrrole-2-carboxylate
CID 174520556
N-(1-methyl-5-oxopyrrolidin-3-yl)-1H-indole-2-carboxamide
CID 110474030
1-methyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
CID 142244434
methyl (3R)-3-(1H-indole-2-carbonylamino)azepane-1-carboxylate
CID 96580468
N-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-1H-indole-2-carboxamide
CID 112533141

Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-2-carboxamide?
The IUPAC name of N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-2-carboxamide (CID 51219847) is N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-2-carboxamide is CC(C)N1CCC(NC(=O)c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-2-carboxamide?
The InChIKey is YGZYVBHJLLVOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12(2)20-9-7-14(8-10-20)18-17(21)16-11-13-5-3-4-6-15(13)19-16/h3-6,11-12,14,19H,7-10H2,1-2H3,(H,18,21).
What are the key properties of N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-2-carboxamide?
N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-2-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 51219847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).