N-(3-indazol-1-ylpropyl)-1-propan-2-ylpiperidine-4-carboxamide

C19H28N4O — CID 72845118

IUPACN-(3-indazol-1-ylpropyl)-1-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N1CCC(C(=O)NCCCn2ncc3ccccc32)CC1
InChIInChI=1S/C19H28N4O/c1-15(2)22-12-8-16(9-13-22)19(24)20-10-5-11-23-18-7-4-3-6-17(18)14-21-23/h3-4,6-7,14-16H,5,8-13H2,1-2H3,(H,20,24)
InChIKeyCCNJIDFRSDYMGA-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.66
Rot. Bonds6

About N-(3-indazol-1-ylpropyl)-1-propan-2-ylpiperidine-4-carboxamide

N-(3-indazol-1-ylpropyl)-1-propan-2-ylpiperidine-4-carboxamide (PubChem CID 72845118) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-(3-indazol-1-ylpropyl)-1-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-indazol-1-ylpropyl)-1-propan-2-ylpiperidine-4-carboxamide
PubChem CID72845118
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-(3-indazol-1-ylpropyl)-1-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N1CCC(C(=O)NCCCn2ncc3ccccc32)CC1
InChIInChI=1S/C19H28N4O/c1-15(2)22-12-8-16(9-13-22)19(24)20-10-5-11-23-18-7-4-3-6-17(18)14-21-23/h3-4,6-7,14-16H,5,8-13H2,1-2H3,(H,20,24)
InChIKeyCCNJIDFRSDYMGA-UHFFFAOYSA-N
XLogP2.66
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.66
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

(3R)-1-cyclopentyl-N-(3-indazol-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 97118781
(1S,6R)-6-(3-indazol-1-ylpropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 95738885
(2R)-N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide
CID 124844866
N-(3-indazol-1-ylpropyl)-2-(methanesulfonamido)propanamide
CID 91837892
N-butyl-1-propan-2-ylpiperidine-4-carboxamide;ethane
CID 169158864
N-[3-(4-chloroindazol-1-yl)propyl]cyclopentanecarboxamide
CID 56731683
N-(3-indazol-1-ylpropyl)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 45171237
N-(3-indazol-1-ylpropyl)-3-methylsulfonylpropanamide
CID 131934698
5-indazol-1-yl-N-propan-2-ylpentan-1-amine
CID 62449017
(2S)-N-(3-indazol-1-ylpropyl)-2-pyrazol-1-ylbutanamide
CID 97147572
N-(3-indazol-1-ylpropyl)-7-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 91959910
N-(3-indazol-1-ylpropyl)-4-phenyl-1,4-diazepane-1-carboxamide
CID 121496739

Frequently Asked Questions

What is the IUPAC name of N-(3-indazol-1-ylpropyl)-1-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(3-indazol-1-ylpropyl)-1-propan-2-ylpiperidine-4-carboxamide (CID 72845118) is N-(3-indazol-1-ylpropyl)-1-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-indazol-1-ylpropyl)-1-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-indazol-1-ylpropyl)-1-propan-2-ylpiperidine-4-carboxamide is CC(C)N1CCC(C(=O)NCCCn2ncc3ccccc32)CC1.
What is the InChIKey of N-(3-indazol-1-ylpropyl)-1-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is CCNJIDFRSDYMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-15(2)22-12-8-16(9-13-22)19(24)20-10-5-11-23-18-7-4-3-6-17(18)14-21-23/h3-4,6-7,14-16H,5,8-13H2,1-2H3,(H,20,24).
What are the key properties of N-(3-indazol-1-ylpropyl)-1-propan-2-ylpiperidine-4-carboxamide?
N-(3-indazol-1-ylpropyl)-1-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indazol-1-ylpropyl)-1-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 72845118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).