(2R)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide

C19H27N3O — CID 97092328

IUPAC(2R)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
SMILESCC(C)Cn1ccc2cc(NC(=O)N3CCCC[C@H]3C)ccc21
InChIInChI=1S/C19H27N3O/c1-14(2)13-21-11-9-16-12-17(7-8-18(16)21)20-19(23)22-10-5-4-6-15(22)3/h7-9,11-12,14-15H,4-6,10,13H2,1-3H3,(H,20,23)/t15-/m1/s1
InChIKeyIQPJMOARWXKBNQ-OAHLLOKOSA-N
MW313.45 g/mol
LogP4.70
Rot. Bonds3

About (2R)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide

(2R)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide (PubChem CID 97092328) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is (2R)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
PubChem CID97092328
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name(2R)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
SMILESCC(C)Cn1ccc2cc(NC(=O)N3CCCC[C@H]3C)ccc21
InChIInChI=1S/C19H27N3O/c1-14(2)13-21-11-9-16-12-17(7-8-18(16)21)20-19(23)22-10-5-4-6-15(22)3/h7-9,11-12,14-15H,4-6,10,13H2,1-3H3,(H,20,23)/t15-/m1/s1
InChIKeyIQPJMOARWXKBNQ-OAHLLOKOSA-N
XLogP4.70
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
CID 52865791
4-(cyclohexylcarbamoylamino)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 56554619
4-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 110936365
3-(hydroxymethyl)-N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
CID 111443241
N-[1-(2-methylpropyl)indol-5-yl]thiomorpholine-4-carboxamide
CID 52865783
1-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 56527629
(2S,4S)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-4-carboxamide;hydrochloride
CID 120634293
1-[(1-methylpiperidin-3-yl)methyl]-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 126767118
4-(4-methoxyphenyl)-N-[1-(2-methylpropyl)indol-5-yl]piperazine-1-carboxamide
CID 56527612
(3S)-4-acetyl-N-[1-(2-methylpropyl)indol-5-yl]morpholine-3-carboxamide
CID 97329393
N-(2-hydroxypropyl)-N'-[1-(2-methylpropyl)indol-5-yl]oxamide
CID 111435467
(2S)-N-(4-bromo-3-methylphenyl)-2-methylpiperidine-1-carboxamide
CID 51944453

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide?
The IUPAC name of (2R)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide (CID 97092328) is (2R)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for (2R)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for (2R)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide is CC(C)Cn1ccc2cc(NC(=O)N3CCCC[C@H]3C)ccc21.
What is the InChIKey of (2R)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide?
The InChIKey is IQPJMOARWXKBNQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27N3O/c1-14(2)13-21-11-9-16-12-17(7-8-18(16)21)20-19(23)22-10-5-4-6-15(22)3/h7-9,11-12,14-15H,4-6,10,13H2,1-3H3,(H,20,23)/t15-/m1/s1.
What are the key properties of (2R)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide?
(2R)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide has a molecular weight of 313.45 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 97092328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).