N-[[4-(1H-indazol-6-yl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide

C27H28N4O — CID 42643842

IUPACN-[[4-(1H-indazol-6-yl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide
SMILESCC1(c2ccccc2)CCCN(C(=O)NCc2ccc(-c3ccc4cn[nH]c4c3)cc2)C1
InChIInChI=1S/C27H28N4O/c1-27(24-6-3-2-4-7-24)14-5-15-31(19-27)26(32)28-17-20-8-10-21(11-9-20)22-12-13-23-18-29-30-25(23)16-22/h2-4,6-13,16,18H,5,14-15,17,19H2,1H3,(H,28,32)(H,29,30)
InChIKeyBXDHEKWRLXJSFP-UHFFFAOYSA-N
MW424.55 g/mol
LogP5.49
Rot. Bonds4

About N-[[4-(1H-indazol-6-yl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide

N-[[4-(1H-indazol-6-yl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide (PubChem CID 42643842) has the molecular formula C27H28N4O and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[[4-(1H-indazol-6-yl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(1H-indazol-6-yl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide
PubChem CID42643842
Molecular FormulaC27H28N4O
Molecular Weight424.55 g/mol
Exact Mass424.23
IUPAC NameN-[[4-(1H-indazol-6-yl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide
SMILESCC1(c2ccccc2)CCCN(C(=O)NCc2ccc(-c3ccc4cn[nH]c4c3)cc2)C1
InChIInChI=1S/C27H28N4O/c1-27(24-6-3-2-4-7-24)14-5-15-31(19-27)26(32)28-17-20-8-10-21(11-9-20)22-12-13-23-18-29-30-25(23)16-22/h2-4,6-13,16,18H,5,14-15,17,19H2,1H3,(H,28,32)(H,29,30)
InChIKeyBXDHEKWRLXJSFP-UHFFFAOYSA-N
XLogP5.49
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]methylurea
CID 119129647
N-[2-(3H-benzimidazol-5-yl)ethyl]-3-methyl-3-phenylpiperidine-1-carboxamide
CID 46882876
1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide
CID 53117404
3-methyl-3-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 166233761
3-methyl-3-phenyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide
CID 75463933
3-methyl-3-phenyl-N-(3-phenylphenyl)piperidine-1-carboxamide
CID 44555474
N-benzyl-4,4-dimethylazepane-1-carboxamide
CID 103713688
3-methyl-1-(pyridin-4-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 63136006
[2-[(3S)-3-methyl-3-phenylpiperidin-1-yl]-2-oxoethyl]urea
CID 97141328
1-(benzylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 63138228
(3R)-N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide
CID 96540537
(3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone
CID 103357503

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1H-indazol-6-yl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide?
The IUPAC name of N-[[4-(1H-indazol-6-yl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide (CID 42643842) is N-[[4-(1H-indazol-6-yl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-[[4-(1H-indazol-6-yl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-[[4-(1H-indazol-6-yl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide is CC1(c2ccccc2)CCCN(C(=O)NCc2ccc(-c3ccc4cn[nH]c4c3)cc2)C1.
What is the InChIKey of N-[[4-(1H-indazol-6-yl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide?
The InChIKey is BXDHEKWRLXJSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O/c1-27(24-6-3-2-4-7-24)14-5-15-31(19-27)26(32)28-17-20-8-10-21(11-9-20)22-12-13-23-18-29-30-25(23)16-22/h2-4,6-13,16,18H,5,14-15,17,19H2,1H3,(H,28,32)(H,29,30).
What are the key properties of N-[[4-(1H-indazol-6-yl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide?
N-[[4-(1H-indazol-6-yl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 5.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1H-indazol-6-yl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 42643842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).