(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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Related Compounds

(2S)-N-(2-methyl-1H-indol-5-yl)-1-propylsulfonylpiperidine-2-carboxamide
CID 94491130
(2R)-N-(2-methyl-1H-indol-5-yl)-1-propylsulfonylpiperidine-2-carboxamide
CID 94491129
N-(2-methyl-1H-indol-5-yl)oxane-4-carboxamide
CID 97185524
1-benzyl-N-(2-methyl-1H-indol-5-yl)piperidine-4-carboxamide
CID 51118445
4-methoxy-N-(2-methyl-1H-indol-5-yl)cyclohexane-1-carboxamide
CID 112526211
N-(2-methyl-1H-indol-5-yl)piperidine-3-carboxamide;hydrochloride
CID 126777358
1-cyclopentyl-3-(2-methyl-1H-indol-5-yl)urea
CID 38265150
2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2-methyl-1H-indol-5-yl)acetamide
CID 98417656
1-(2-ethylpiperidin-1-yl)-2-[(2-methyl-1H-indol-5-yl)amino]propan-1-one
CID 91643924
(2S)-1-(2-phenylethyl)-N-[4-[5-[[(2S)-1-(2-phenylethyl)pyrrolidine-2-carbonyl]amino]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 72722491
(2S,5R)-5-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)oxolane-2-carboxamide
CID 120785796
(2R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-1-prop-2-ynylpiperidine-2-carboxamide
CID 95280169

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).