(2S,6S)-N-(1H-indol-3-yl)-2,6-dimethylpiperidine-1-carboxamide

C16H21N3O — CID 7615898

IUPAC(2S,6S)-N-(1H-indol-3-yl)-2,6-dimethylpiperidine-1-carboxamide
SMILESC[C@H]1CCC[C@H](C)N1C(=O)Nc1c[nH]c2ccccc12
InChIInChI=1S/C16H21N3O/c1-11-6-5-7-12(2)19(11)16(20)18-15-10-17-14-9-4-3-8-13(14)15/h3-4,8-12,17H,5-7H2,1-2H3,(H,18,20)/t11-,12-/m0/s1
InChIKeyZJJQEGRGFHAJNY-RYUDHWBXSA-N
MW271.36 g/mol
LogP3.96
Rot. Bonds1

About (2S,6S)-N-(1H-indol-3-yl)-2,6-dimethylpiperidine-1-carboxamide

(2S,6S)-N-(1H-indol-3-yl)-2,6-dimethylpiperidine-1-carboxamide (PubChem CID 7615898) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (2S,6S)-N-(1H-indol-3-yl)-2,6-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(2S,6S)-N-(1H-indol-3-yl)-2,6-dimethylpiperidine-1-carboxamide
PubChem CID7615898
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(2S,6S)-N-(1H-indol-3-yl)-2,6-dimethylpiperidine-1-carboxamide
SMILESC[C@H]1CCC[C@H](C)N1C(=O)Nc1c[nH]c2ccccc12
InChIInChI=1S/C16H21N3O/c1-11-6-5-7-12(2)19(11)16(20)18-15-10-17-14-9-4-3-8-13(14)15/h3-4,8-12,17H,5-7H2,1-2H3,(H,18,20)/t11-,12-/m0/s1
InChIKeyZJJQEGRGFHAJNY-RYUDHWBXSA-N
XLogP3.96
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1H-indol-3-yl)pyrrolidine-1-carboxamide
CID 7615879
(2S,6S)-N-(2-chlorophenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 41097747
N-(1H-indol-3-yl)-4-methylpiperazine-1-carboxamide
CID 7615909
1H-indol-3-ylcarbamic acid
CID 66672709
N-(1H-indol-3-yl)-4-phenylpiperazine-1-carboxamide
CID 7595792
N-(1H-indol-3-yl)butanamide;dihydrochloride
CID 142898662
1-ethyl-3-(1H-indol-3-yl)urea
CID 7615926
N-benzyl-2,6-dimethylpiperidine-1-carboxamide
CID 110755036
1-cyclopentyl-N-(1H-indol-3-yl)pyrazole-4-carboxamide
CID 154652767
4-(2-hydroxyethyl)-N-(1H-indol-3-yl)piperazin-4-ium-1-carboxamide
CID 7615912
N-(1H-indol-3-yl)-2-methyl-2-(methylamino)propanamide
CID 115165574
3-(1H-indol-3-ylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 115163934

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-N-(1H-indol-3-yl)-2,6-dimethylpiperidine-1-carboxamide?
The IUPAC name of (2S,6S)-N-(1H-indol-3-yl)-2,6-dimethylpiperidine-1-carboxamide (CID 7615898) is (2S,6S)-N-(1H-indol-3-yl)-2,6-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for (2S,6S)-N-(1H-indol-3-yl)-2,6-dimethylpiperidine-1-carboxamide?
The canonical SMILES for (2S,6S)-N-(1H-indol-3-yl)-2,6-dimethylpiperidine-1-carboxamide is C[C@H]1CCC[C@H](C)N1C(=O)Nc1c[nH]c2ccccc12.
What is the InChIKey of (2S,6S)-N-(1H-indol-3-yl)-2,6-dimethylpiperidine-1-carboxamide?
The InChIKey is ZJJQEGRGFHAJNY-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-6-5-7-12(2)19(11)16(20)18-15-10-17-14-9-4-3-8-13(14)15/h3-4,8-12,17H,5-7H2,1-2H3,(H,18,20)/t11-,12-/m0/s1.
What are the key properties of (2S,6S)-N-(1H-indol-3-yl)-2,6-dimethylpiperidine-1-carboxamide?
(2S,6S)-N-(1H-indol-3-yl)-2,6-dimethylpiperidine-1-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 3.96, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-N-(1H-indol-3-yl)-2,6-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 7615898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).