1-methyl-N-(5-piperidin-1-ylpentyl)indazole-3-carboxamide

C19H28N4O — CID 54486483

IUPAC1-methyl-N-(5-piperidin-1-ylpentyl)indazole-3-carboxamide
SMILESCn1nc(C(=O)NCCCCCN2CCCCC2)c2ccccc21
InChIInChI=1S/C19H28N4O/c1-22-17-11-5-4-10-16(17)18(21-22)19(24)20-12-6-2-7-13-23-14-8-3-9-15-23/h4-5,10-11H,2-3,6-9,12-15H2,1H3,(H,20,24)
InChIKeyTVQLWBURHHYHNB-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.96
Rot. Bonds7

About 1-methyl-N-(5-piperidin-1-ylpentyl)indazole-3-carboxamide

1-methyl-N-(5-piperidin-1-ylpentyl)indazole-3-carboxamide (PubChem CID 54486483) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-methyl-N-(5-piperidin-1-ylpentyl)indazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(5-piperidin-1-ylpentyl)indazole-3-carboxamide
PubChem CID54486483
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name1-methyl-N-(5-piperidin-1-ylpentyl)indazole-3-carboxamide
SMILESCn1nc(C(=O)NCCCCCN2CCCCC2)c2ccccc21
InChIInChI=1S/C19H28N4O/c1-22-17-11-5-4-10-16(17)18(21-22)19(24)20-12-6-2-7-13-23-14-8-3-9-15-23/h4-5,10-11H,2-3,6-9,12-15H2,1H3,(H,20,24)
InChIKeyTVQLWBURHHYHNB-UHFFFAOYSA-N
XLogP2.96
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-piperidin-1-ylpropyl)-1-propylindazole-3-carboxamide
CID 18969248
6-[(1-methylindazole-3-carbonyl)amino]hexanoic acid
CID 103116333
N-(3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 166081516
N-(3-bromopropyl)-1-methylindazole-3-carboxamide
CID 103119709
1-methyl-N-pent-4-ynylindazole-3-carboxamide
CID 106223254
N-(2-chloroethyl)-1-methylindazole-3-carboxamide
CID 103119713
N-(4-azidobutyl)-1-methylindazole-3-carboxamide
CID 106386463
1,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)indazole-3-carboxamide
CID 118788228
methyl 3-[(1-methylindazole-3-carbonyl)amino]propanoate
CID 103121172
2-amino-N-(5-piperidin-1-ylpentyl)benzamide
CID 119947207
2-methyl-4-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103117045
(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 110848618

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(5-piperidin-1-ylpentyl)indazole-3-carboxamide?
The IUPAC name of 1-methyl-N-(5-piperidin-1-ylpentyl)indazole-3-carboxamide (CID 54486483) is 1-methyl-N-(5-piperidin-1-ylpentyl)indazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(5-piperidin-1-ylpentyl)indazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-(5-piperidin-1-ylpentyl)indazole-3-carboxamide is Cn1nc(C(=O)NCCCCCN2CCCCC2)c2ccccc21.
What is the InChIKey of 1-methyl-N-(5-piperidin-1-ylpentyl)indazole-3-carboxamide?
The InChIKey is TVQLWBURHHYHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-22-17-11-5-4-10-16(17)18(21-22)19(24)20-12-6-2-7-13-23-14-8-3-9-15-23/h4-5,10-11H,2-3,6-9,12-15H2,1H3,(H,20,24).
What are the key properties of 1-methyl-N-(5-piperidin-1-ylpentyl)indazole-3-carboxamide?
1-methyl-N-(5-piperidin-1-ylpentyl)indazole-3-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(5-piperidin-1-ylpentyl)indazole-3-carboxamide is sourced from PubChem (CID 54486483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).