N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride

C17H33Cl2N3O — CID 119855579

IUPACN-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
SMILESCN1CCCC(CN(C)C(=O)C2CC3CCCCC3N2)C1.Cl.Cl
InChIInChI=1S/C17H31N3O.2ClH/c1-19-9-5-6-13(11-19)12-20(2)17(21)16-10-14-7-3-4-8-15(14)18-16;;/h13-16,18H,3-12H2,1-2H3;2*1H
InChIKeyTYUKSDWNRLVILW-UHFFFAOYSA-N
MW366.38 g/mol
LogP2.55
Rot. Bonds3

About N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride

N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride (PubChem CID 119855579) has the molecular formula C17H33Cl2N3O and a molecular weight of 366.38 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
PubChem CID119855579
Molecular FormulaC17H33Cl2N3O
Molecular Weight366.38 g/mol
Exact Mass365.20
IUPAC NameN-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
SMILESCN1CCCC(CN(C)C(=O)C2CC3CCCCC3N2)C1.Cl.Cl
InChIInChI=1S/C17H31N3O.2ClH/c1-19-9-5-6-13(11-19)12-20(2)17(21)16-10-14-7-3-4-8-15(14)18-16;;/h13-16,18H,3-12H2,1-2H3;2*1H
InChIKeyTYUKSDWNRLVILW-UHFFFAOYSA-N
XLogP2.55
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-methyl-N-(oxolan-2-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119281282
N-(2-methoxyethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119280509
N-[(3-hydroxycyclobutyl)methyl]-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66469006
N,N-dipropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119262416
N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119855559
5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-N-(cyclopropylmethyl)-N-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 162450681
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119834044
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(3-ethylpiperidin-1-yl)methanone
CID 43584539
N-ethyl-N-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119280649
N-(2-hydroxy-3-methoxypropyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 54999254
(2S,3aS,7aR)-N-(1-ethylpiperidin-4-yl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 124709163

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride?
The IUPAC name of N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride (CID 119855579) is N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride?
The canonical SMILES for N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride is CN1CCCC(CN(C)C(=O)C2CC3CCCCC3N2)C1.Cl.Cl.
What is the InChIKey of N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride?
The InChIKey is TYUKSDWNRLVILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O.2ClH/c1-19-9-5-6-13(11-19)12-20(2)17(21)16-10-14-7-3-4-8-15(14)18-16;;/h13-16,18H,3-12H2,1-2H3;2*1H.
What are the key properties of N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride?
N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride has a molecular weight of 366.38 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119855579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).