N-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide

C24H30N4O — CID 10834269

IUPACN-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
SMILESCC(C)n1nc(C(=O)NC2CCN(CCc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C24H30N4O/c1-18(2)28-22-11-7-6-10-21(22)23(26-28)24(29)25-20-13-16-27(17-14-20)15-12-19-8-4-3-5-9-19/h3-11,18,20H,12-17H2,1-2H3,(H,25,29)
InChIKeyAPRJLRLJBAXHOO-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.05
Rot. Bonds6

About N-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide

N-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide (PubChem CID 10834269) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
PubChem CID10834269
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC NameN-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
SMILESCC(C)n1nc(C(=O)NC2CCN(CCc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C24H30N4O/c1-18(2)28-22-11-7-6-10-21(22)23(26-28)24(29)25-20-13-16-27(17-14-20)15-12-19-8-4-3-5-9-19/h3-11,18,20H,12-17H2,1-2H3,(H,25,29)
InChIKeyAPRJLRLJBAXHOO-UHFFFAOYSA-N
XLogP4.05
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-phenylbutyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 11796305
N-[2-(4-benzamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide
CID 10717651
oxalic acid;N-[1-(oxan-4-yl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 171354359
N-[2-(4-aminopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid
CID 86751129
2,3-dihydroxybutanedioic acid;N-[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 171352575
1-methyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride
CID 71462661
N-[1-(2-phenylethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 119043011
N-[6-(3-hydroxypropyl)piperidin-3-yl]-1-propan-2-ylindazole-3-carboxamide
CID 67269772
1-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]imidazole-4-carboxamide
CID 118776458
2,5-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-3-carboxamide
CID 175649732
1-(3-methylbutyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride
CID 71455509
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 55517726

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide?
The IUPAC name of N-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide (CID 10834269) is N-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide.
What is the SMILES notation for N-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide?
The canonical SMILES for N-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide is CC(C)n1nc(C(=O)NC2CCN(CCc3ccccc3)CC2)c2ccccc21.
What is the InChIKey of N-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide?
The InChIKey is APRJLRLJBAXHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-18(2)28-22-11-7-6-10-21(22)23(26-28)24(29)25-20-13-16-27(17-14-20)15-12-19-8-4-3-5-9-19/h3-11,18,20H,12-17H2,1-2H3,(H,25,29).
What are the key properties of N-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide?
N-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide is sourced from PubChem (CID 10834269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).