N,2,3-trimethyl-N-piperidin-3-yl-1H-indole-5-carboxamide

C17H23N3O — CID 63641936

IUPACN,2,3-trimethyl-N-piperidin-3-yl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)N(C)C3CCCNC3)cc2c1C
InChIInChI=1S/C17H23N3O/c1-11-12(2)19-16-7-6-13(9-15(11)16)17(21)20(3)14-5-4-8-18-10-14/h6-7,9,14,18-19H,4-5,8,10H2,1-3H3
InChIKeyCSSRLDCLZJVTNX-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.61
Rot. Bonds2

About N,2,3-trimethyl-N-piperidin-3-yl-1H-indole-5-carboxamide

N,2,3-trimethyl-N-piperidin-3-yl-1H-indole-5-carboxamide (PubChem CID 63641936) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N,2,3-trimethyl-N-piperidin-3-yl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN,2,3-trimethyl-N-piperidin-3-yl-1H-indole-5-carboxamide
PubChem CID63641936
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN,2,3-trimethyl-N-piperidin-3-yl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)N(C)C3CCCNC3)cc2c1C
InChIInChI=1S/C17H23N3O/c1-11-12(2)19-16-7-6-13(9-15(11)16)17(21)20(3)14-5-4-8-18-10-14/h6-7,9,14,18-19H,4-5,8,10H2,1-3H3
InChIKeyCSSRLDCLZJVTNX-UHFFFAOYSA-N
XLogP2.61
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N,2,3-trimethyl-N-(thiolan-3-yl)-1H-indole-5-carboxamide
CID 43582046
3-bromo-N,4-dimethyl-N-piperidin-3-ylbenzamide
CID 81476273
3-fluoro-N,4-dimethyl-N-piperidin-3-ylbenzamide
CID 60807217
N,3-dimethyl-N-piperidin-3-ylbenzamide
CID 60807215
N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 102684977
3-chloro-4-hydroxy-N-methyl-N-piperidin-3-ylbenzamide
CID 63644238
N,4-dimethyl-3-methylsulfonyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 124613574
N,2,4-trimethyl-N-piperidin-3-ylbenzamide
CID 60807214
N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554368
3,5-dimethoxy-N-methyl-N-piperidin-3-ylbenzamide
CID 60807213
N-(azepan-4-yl)-3,4-dihydroxy-N-methylbenzamide
CID 107728861
N-methyl-N-piperidin-3-yl-3-propan-2-yloxybenzamide
CID 62920144

Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethyl-N-piperidin-3-yl-1H-indole-5-carboxamide?
The IUPAC name of N,2,3-trimethyl-N-piperidin-3-yl-1H-indole-5-carboxamide (CID 63641936) is N,2,3-trimethyl-N-piperidin-3-yl-1H-indole-5-carboxamide.
What is the SMILES notation for N,2,3-trimethyl-N-piperidin-3-yl-1H-indole-5-carboxamide?
The canonical SMILES for N,2,3-trimethyl-N-piperidin-3-yl-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)N(C)C3CCCNC3)cc2c1C.
What is the InChIKey of N,2,3-trimethyl-N-piperidin-3-yl-1H-indole-5-carboxamide?
The InChIKey is CSSRLDCLZJVTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11-12(2)19-16-7-6-13(9-15(11)16)17(21)20(3)14-5-4-8-18-10-14/h6-7,9,14,18-19H,4-5,8,10H2,1-3H3.
What are the key properties of N,2,3-trimethyl-N-piperidin-3-yl-1H-indole-5-carboxamide?
N,2,3-trimethyl-N-piperidin-3-yl-1H-indole-5-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-N-piperidin-3-yl-1H-indole-5-carboxamide is sourced from PubChem (CID 63641936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).