N-(1-benzylpiperidin-4-yl)-1H-indazole-3-carboxamide

C20H22N4O — CID 10568741

IUPACN-(1-benzylpiperidin-4-yl)-1H-indazole-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1n[nH]c2ccccc12
InChIInChI=1S/C20H22N4O/c25-20(19-17-8-4-5-9-18(17)22-23-19)21-16-10-12-24(13-11-16)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,21,25)(H,22,23)
InChIKeyVPAGGDPQRLGLIG-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.96
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-1H-indazole-3-carboxamide

N-(1-benzylpiperidin-4-yl)-1H-indazole-3-carboxamide (PubChem CID 10568741) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1H-indazole-3-carboxamide
PubChem CID10568741
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-(1-benzylpiperidin-4-yl)-1H-indazole-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1n[nH]c2ccccc12
InChIInChI=1S/C20H22N4O/c25-20(19-17-8-4-5-9-18(17)22-23-19)21-16-10-12-24(13-11-16)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,21,25)(H,22,23)
InChIKeyVPAGGDPQRLGLIG-UHFFFAOYSA-N
XLogP2.96
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 10108057
N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 51110170
ethyl 4-(1H-indazole-3-carbonylamino)piperidine-1-carboxylate
CID 42477818
N-[1-(3-methylbutanoyl)piperidin-4-yl]-1H-indazole-3-carboxamide
CID 52768718
N-(1-methyl-2-methylidenepiperidin-4-yl)-1H-indazole-3-carboxamide
CID 89010317
N-[1-(1-phenylethyl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide
CID 75834351
N-[(3S)-1-(2-chloropyrimidin-4-yl)pyrrolidin-3-yl]-1H-indazole-3-carboxamide
CID 166320138
N-[1-methyl-4-[[3-(2-oxopropyl)phenyl]methyl]-1,4-diazepan-6-yl]-1H-indazole-3-carboxamide
CID 139640143
N-(oxan-3-yl)-1H-indazole-3-carboxamide
CID 63611564
N-(thiolan-3-yl)-1H-indazole-3-carboxamide
CID 103708716
N-(1-benzylpiperidin-4-yl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
CID 22588176
N-[(3R)-1-benzylpyrrolidin-3-yl]isoquinoline-1-carboxamide
CID 95254725

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1H-indazole-3-carboxamide (CID 10568741) is N-(1-benzylpiperidin-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1H-indazole-3-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1n[nH]c2ccccc12.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is VPAGGDPQRLGLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c25-20(19-17-8-4-5-9-18(17)22-23-19)21-16-10-12-24(13-11-16)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,21,25)(H,22,23).
What are the key properties of N-(1-benzylpiperidin-4-yl)-1H-indazole-3-carboxamide?
N-(1-benzylpiperidin-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 10568741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).