(2S)-N-(2-methyl-1H-indol-5-yl)-1-prop-2-ynylpiperidine-2-carboxamide

C18H21N3O — CID 94658175

IUPAC(2S)-N-(2-methyl-1H-indol-5-yl)-1-prop-2-ynylpiperidine-2-carboxamide
SMILESC#CCN1CCCC[C@H]1C(=O)Nc1ccc2[nH]c(C)cc2c1
InChIInChI=1S/C18H21N3O/c1-3-9-21-10-5-4-6-17(21)18(22)20-15-7-8-16-14(12-15)11-13(2)19-16/h1,7-8,11-12,17,19H,4-6,9-10H2,2H3,(H,20,22)/t17-/m0/s1
InChIKeyDLJIQUNSHYCNBI-KRWDZBQOSA-N
MW295.39 g/mol
LogP2.90
Rot. Bonds3

About (2S)-N-(2-methyl-1H-indol-5-yl)-1-prop-2-ynylpiperidine-2-carboxamide

(2S)-N-(2-methyl-1H-indol-5-yl)-1-prop-2-ynylpiperidine-2-carboxamide (PubChem CID 94658175) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is (2S)-N-(2-methyl-1H-indol-5-yl)-1-prop-2-ynylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-methyl-1H-indol-5-yl)-1-prop-2-ynylpiperidine-2-carboxamide
PubChem CID94658175
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name(2S)-N-(2-methyl-1H-indol-5-yl)-1-prop-2-ynylpiperidine-2-carboxamide
SMILESC#CCN1CCCC[C@H]1C(=O)Nc1ccc2[nH]c(C)cc2c1
InChIInChI=1S/C18H21N3O/c1-3-9-21-10-5-4-6-17(21)18(22)20-15-7-8-16-14(12-15)11-13(2)19-16/h1,7-8,11-12,17,19H,4-6,9-10H2,2H3,(H,20,22)/t17-/m0/s1
InChIKeyDLJIQUNSHYCNBI-KRWDZBQOSA-N
XLogP2.90
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methyl-1H-indol-5-yl)-1-prop-2-ynylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-methyl-1H-indol-5-yl)-1-prop-2-ynylpiperidine-2-carboxamide (CID 94658175) is (2S)-N-(2-methyl-1H-indol-5-yl)-1-prop-2-ynylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-methyl-1H-indol-5-yl)-1-prop-2-ynylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-methyl-1H-indol-5-yl)-1-prop-2-ynylpiperidine-2-carboxamide is C#CCN1CCCC[C@H]1C(=O)Nc1ccc2[nH]c(C)cc2c1.
What is the InChIKey of (2S)-N-(2-methyl-1H-indol-5-yl)-1-prop-2-ynylpiperidine-2-carboxamide?
The InChIKey is DLJIQUNSHYCNBI-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21N3O/c1-3-9-21-10-5-4-6-17(21)18(22)20-15-7-8-16-14(12-15)11-13(2)19-16/h1,7-8,11-12,17,19H,4-6,9-10H2,2H3,(H,20,22)/t17-/m0/s1.
What are the key properties of (2S)-N-(2-methyl-1H-indol-5-yl)-1-prop-2-ynylpiperidine-2-carboxamide?
(2S)-N-(2-methyl-1H-indol-5-yl)-1-prop-2-ynylpiperidine-2-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methyl-1H-indol-5-yl)-1-prop-2-ynylpiperidine-2-carboxamide is sourced from PubChem (CID 94658175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).