(2S,4S)-N-[2-(diethylamino)ethyl]-2-methyl-N-(2-methylpropyl)piperidine-4-carboxamide;hydrochloride

C17H36ClN3O — CID 120639366

IUPAC(2S,4S)-N-[2-(diethylamino)ethyl]-2-methyl-N-(2-methylpropyl)piperidine-4-carboxamide;hydrochloride
SMILESCCN(CC)CCN(CC(C)C)C(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C17H35N3O.ClH/c1-6-19(7-2)10-11-20(13-14(3)4)17(21)16-8-9-18-15(5)12-16;/h14-16,18H,6-13H2,1-5H3;1H/t15-,16-;/m0./s1
InChIKeyPKNCPBPVZMPBDT-MOGJOVFKSA-N
MW333.95 g/mol
LogP2.62
Rot. Bonds8

About (2S,4S)-N-[2-(diethylamino)ethyl]-2-methyl-N-(2-methylpropyl)piperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[2-(diethylamino)ethyl]-2-methyl-N-(2-methylpropyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120639366) has the molecular formula C17H36ClN3O and a molecular weight of 333.95 g/mol. Its IUPAC name is (2S,4S)-N-[2-(diethylamino)ethyl]-2-methyl-N-(2-methylpropyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[2-(diethylamino)ethyl]-2-methyl-N-(2-methylpropyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120639366
Molecular FormulaC17H36ClN3O
Molecular Weight333.95 g/mol
Exact Mass333.25
IUPAC Name(2S,4S)-N-[2-(diethylamino)ethyl]-2-methyl-N-(2-methylpropyl)piperidine-4-carboxamide;hydrochloride
SMILESCCN(CC)CCN(CC(C)C)C(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C17H35N3O.ClH/c1-6-19(7-2)10-11-20(13-14(3)4)17(21)16-8-9-18-15(5)12-16;/h14-16,18H,6-13H2,1-5H3;1H/t15-,16-;/m0./s1
InChIKeyPKNCPBPVZMPBDT-MOGJOVFKSA-N
XLogP2.62
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.95
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-2-methyl-N,N-bis(3-methylbutyl)piperidine-4-carboxamide
CID 120616325
(2S,4S)-N-cyclopropyl-2-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;hydrochloride
CID 120623080
(2S,4S)-N-butan-2-yl-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120624137
(2S,4S)-N,N-bis(2-methoxyethyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616330
2-methyl-N-propan-2-yl-N-propylpiperidine-4-carboxamide
CID 106738743
(2S,4S)-N-(cyclopropylmethyl)-2-methyl-N-propylpiperidine-4-carboxamide
CID 120616807
N-[2-(dimethylamino)ethyl]-6-methyl-N-(2-methylpropyl)piperidine-3-carboxamide
CID 55009006
N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 71894789
(2S,4S)-N-cyclopropyl-2-methyl-N-propylpiperidine-4-carboxamide
CID 120635725
methyl 2-[2-ethylbutyl-(2-methylpiperidine-4-carbonyl)amino]acetate
CID 106739382
N-cyclohexyl-N-ethyl-2-methylpiperidine-4-carboxamide
CID 106738612
N-(1-methoxypropan-2-yl)-N,2-dimethylpiperidine-4-carboxamide
CID 106739418

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[2-(diethylamino)ethyl]-2-methyl-N-(2-methylpropyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[2-(diethylamino)ethyl]-2-methyl-N-(2-methylpropyl)piperidine-4-carboxamide;hydrochloride (CID 120639366) is (2S,4S)-N-[2-(diethylamino)ethyl]-2-methyl-N-(2-methylpropyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[2-(diethylamino)ethyl]-2-methyl-N-(2-methylpropyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[2-(diethylamino)ethyl]-2-methyl-N-(2-methylpropyl)piperidine-4-carboxamide;hydrochloride is CCN(CC)CCN(CC(C)C)C(=O)[C@H]1CCN[C@@H](C)C1.Cl.
What is the InChIKey of (2S,4S)-N-[2-(diethylamino)ethyl]-2-methyl-N-(2-methylpropyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is PKNCPBPVZMPBDT-MOGJOVFKSA-N. The full InChI is InChI=1S/C17H35N3O.ClH/c1-6-19(7-2)10-11-20(13-14(3)4)17(21)16-8-9-18-15(5)12-16;/h14-16,18H,6-13H2,1-5H3;1H/t15-,16-;/m0./s1.
What are the key properties of (2S,4S)-N-[2-(diethylamino)ethyl]-2-methyl-N-(2-methylpropyl)piperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[2-(diethylamino)ethyl]-2-methyl-N-(2-methylpropyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 333.95 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[2-(diethylamino)ethyl]-2-methyl-N-(2-methylpropyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120639366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).