(2S,4S)-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-methylpiperidine-4-carboxamide;dihydrochloride

C17H36Cl2N4O — CID 120645262

IUPAC(2S,4S)-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-methylpiperidine-4-carboxamide;dihydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NCC2CCN(CCN(C)C)CC2)CCN1.Cl.Cl
InChIInChI=1S/C17H34N4O.2ClH/c1-14-12-16(4-7-18-14)17(22)19-13-15-5-8-21(9-6-15)11-10-20(2)3;;/h14-16,18H,4-13H2,1-3H3,(H,19,22);2*1H/t14-,16-;;/m0../s1
InChIKeyLLUIPILKLFYLDG-UQUANJBCSA-N
MW383.41 g/mol
LogP1.61
Rot. Bonds6

About (2S,4S)-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-methylpiperidine-4-carboxamide;dihydrochloride

(2S,4S)-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-methylpiperidine-4-carboxamide;dihydrochloride (PubChem CID 120645262) has the molecular formula C17H36Cl2N4O and a molecular weight of 383.41 g/mol. Its IUPAC name is (2S,4S)-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-methylpiperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-methylpiperidine-4-carboxamide;dihydrochloride
PubChem CID120645262
Molecular FormulaC17H36Cl2N4O
Molecular Weight383.41 g/mol
Exact Mass382.23
IUPAC Name(2S,4S)-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-methylpiperidine-4-carboxamide;dihydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NCC2CCN(CCN(C)C)CC2)CCN1.Cl.Cl
InChIInChI=1S/C17H34N4O.2ClH/c1-14-12-16(4-7-18-14)17(22)19-13-15-5-8-21(9-6-15)11-10-20(2)3;;/h14-16,18H,4-13H2,1-3H3,(H,19,22);2*1H/t14-,16-;;/m0../s1
InChIKeyLLUIPILKLFYLDG-UQUANJBCSA-N
XLogP1.61
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,4S)-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-methylpiperidine-4-carboxamide;dihydrochloride with MolForge

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Related Compounds

N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]morpholine-3-carboxamide
CID 119862675
2-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide
CID 106739669
(2S,4S)-N-[2-(azepan-1-yl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120632718
(2S,4S)-2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-4-carboxamide
CID 120634795
N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119862739
(2S,4S)-2-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120634721
2-methyl-N-(thiolan-3-ylmethyl)piperidine-4-carboxamide
CID 107295958
(2S,4S)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636684
(2S,4S)-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-4-carboxamide
CID 120635200
2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]propanamide
CID 119862705
(2S,4S)-2-methyl-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]piperidine-4-carboxamide
CID 120638355
N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119862726

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-methylpiperidine-4-carboxamide;dihydrochloride?
The IUPAC name of (2S,4S)-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-methylpiperidine-4-carboxamide;dihydrochloride (CID 120645262) is (2S,4S)-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-methylpiperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for (2S,4S)-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-methylpiperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for (2S,4S)-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-methylpiperidine-4-carboxamide;dihydrochloride is C[C@H]1C[C@@H](C(=O)NCC2CCN(CCN(C)C)CC2)CCN1.Cl.Cl.
What is the InChIKey of (2S,4S)-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-methylpiperidine-4-carboxamide;dihydrochloride?
The InChIKey is LLUIPILKLFYLDG-UQUANJBCSA-N. The full InChI is InChI=1S/C17H34N4O.2ClH/c1-14-12-16(4-7-18-14)17(22)19-13-15-5-8-21(9-6-15)11-10-20(2)3;;/h14-16,18H,4-13H2,1-3H3,(H,19,22);2*1H/t14-,16-;;/m0../s1.
What are the key properties of (2S,4S)-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-methylpiperidine-4-carboxamide;dihydrochloride?
(2S,4S)-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-methylpiperidine-4-carboxamide;dihydrochloride has a molecular weight of 383.41 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-methylpiperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120645262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).