N-[(1-ethylindazol-3-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide

C19H28N4O — CID 72875798

IUPACN-[(1-ethylindazol-3-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide
SMILESCCn1nc(CNC(=O)C2CCCN(C(C)C)C2)c2ccccc21
InChIInChI=1S/C19H28N4O/c1-4-23-18-10-6-5-9-16(18)17(21-23)12-20-19(24)15-8-7-11-22(13-15)14(2)3/h5-6,9-10,14-15H,4,7-8,11-13H2,1-3H3,(H,20,24)
InChIKeyNWKDFVVMOISNHD-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.79
Rot. Bonds5

About N-[(1-ethylindazol-3-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide

N-[(1-ethylindazol-3-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide (PubChem CID 72875798) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[(1-ethylindazol-3-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylindazol-3-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide
PubChem CID72875798
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-[(1-ethylindazol-3-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide
SMILESCCn1nc(CNC(=O)C2CCCN(C(C)C)C2)c2ccccc21
InChIInChI=1S/C19H28N4O/c1-4-23-18-10-6-5-9-16(18)17(21-23)12-20-19(24)15-8-7-11-22(13-15)14(2)3/h5-6,9-10,14-15H,4,7-8,11-13H2,1-3H3,(H,20,24)
InChIKeyNWKDFVVMOISNHD-UHFFFAOYSA-N
XLogP2.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,3S)-3-amino-N-[(1-ethylindazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 133111847
N-(2-phenylethyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 59279121
(3S)-N-[(1-propylindazol-3-yl)methyl]oxolane-3-carboxamide
CID 95100451
(1S)-1-cyclopentyl-N-[(1-ethylindazol-3-yl)methyl]ethanamine
CID 81395194
(3R)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 97272581
1-methyl-N-[[4-oxo-3-(pyridin-2-ylmethyl)phthalazin-1-yl]methyl]piperidine-3-carboxamide
CID 121049162
(3S)-1-propan-2-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 97271190
(3R)-N-[(1-ethylindazol-3-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95729625
5-[(1-ethylindazol-3-yl)methylamino]-2-methylpentan-1-ol
CID 104879529
N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]cyclopropanecarboxamide
CID 121048517
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 72940468
1-cyclopentyl-3-(1-ethylindazol-3-yl)propan-2-one
CID 114981052

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylindazol-3-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[(1-ethylindazol-3-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide (CID 72875798) is N-[(1-ethylindazol-3-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(1-ethylindazol-3-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[(1-ethylindazol-3-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide is CCn1nc(CNC(=O)C2CCCN(C(C)C)C2)c2ccccc21.
What is the InChIKey of N-[(1-ethylindazol-3-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is NWKDFVVMOISNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-4-23-18-10-6-5-9-16(18)17(21-23)12-20-19(24)15-8-7-11-22(13-15)14(2)3/h5-6,9-10,14-15H,4,7-8,11-13H2,1-3H3,(H,20,24).
What are the key properties of N-[(1-ethylindazol-3-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide?
N-[(1-ethylindazol-3-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylindazol-3-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 72875798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).