ethyl 1-[2-[methyl-[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]acetyl]piperidine-4-carboxylate;hydrochloride

C18H32ClN3O4 — CID 120635241

IUPACethyl 1-[2-[methyl-[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]acetyl]piperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCN(C(=O)CN(C)C(=O)[C@H]2CCN[C@@H](C)C2)CC1.Cl
InChIInChI=1S/C18H31N3O4.ClH/c1-4-25-18(24)14-6-9-21(10-7-14)16(22)12-20(3)17(23)15-5-8-19-13(2)11-15;/h13-15,19H,4-12H2,1-3H3;1H/t13-,15-;/m0./s1
InChIKeyFSZDHTHBYICHJF-SLHAJLBXSA-N
MW389.92 g/mol
LogP1.06
Rot. Bonds5

About ethyl 1-[2-[methyl-[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]acetyl]piperidine-4-carboxylate;hydrochloride

ethyl 1-[2-[methyl-[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]acetyl]piperidine-4-carboxylate;hydrochloride (PubChem CID 120635241) has the molecular formula C18H32ClN3O4 and a molecular weight of 389.92 g/mol. Its IUPAC name is ethyl 1-[2-[methyl-[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]acetyl]piperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 1-[2-[methyl-[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]acetyl]piperidine-4-carboxylate;hydrochloride
PubChem CID120635241
Molecular FormulaC18H32ClN3O4
Molecular Weight389.92 g/mol
Exact Mass389.21
IUPAC Nameethyl 1-[2-[methyl-[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]acetyl]piperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCN(C(=O)CN(C)C(=O)[C@H]2CCN[C@@H](C)C2)CC1.Cl
InChIInChI=1S/C18H31N3O4.ClH/c1-4-25-18(24)14-6-9-21(10-7-14)16(22)12-20(3)17(23)15-5-8-19-13(2)11-15;/h13-15,19H,4-12H2,1-3H3;1H/t13-,15-;/m0./s1
InChIKeyFSZDHTHBYICHJF-SLHAJLBXSA-N
XLogP1.06
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.92
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[2-[methyl-[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]acetyl]piperidine-4-carboxylate
CID 120635242
ethyl 1-[3-(dimethylamino)propanoyl]piperidine-4-carboxylate
CID 170985512
ethyl 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxylate
CID 64685754
ethyl 2-[(1-acetylpiperidine-4-carbonyl)-methylamino]acetate
CID 55003374
2-(diethylamino)-1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 120635729
ethyl 2-[2-methoxyethyl-(2-methylpiperidine-4-carbonyl)amino]acetate
CID 106739397
N,2-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 79389017
ethyl 1-[2-[(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylate
CID 56565158
N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 63005448
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
ethyl 1-[2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetyl]piperidine-4-carboxylate
CID 2197064
ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate
CID 43086020

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[methyl-[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]acetyl]piperidine-4-carboxylate;hydrochloride?
The IUPAC name of ethyl 1-[2-[methyl-[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]acetyl]piperidine-4-carboxylate;hydrochloride (CID 120635241) is ethyl 1-[2-[methyl-[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]acetyl]piperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 1-[2-[methyl-[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]acetyl]piperidine-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl 1-[2-[methyl-[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]acetyl]piperidine-4-carboxylate;hydrochloride is CCOC(=O)C1CCN(C(=O)CN(C)C(=O)[C@H]2CCN[C@@H](C)C2)CC1.Cl.
What is the InChIKey of ethyl 1-[2-[methyl-[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]acetyl]piperidine-4-carboxylate;hydrochloride?
The InChIKey is FSZDHTHBYICHJF-SLHAJLBXSA-N. The full InChI is InChI=1S/C18H31N3O4.ClH/c1-4-25-18(24)14-6-9-21(10-7-14)16(22)12-20(3)17(23)15-5-8-19-13(2)11-15;/h13-15,19H,4-12H2,1-3H3;1H/t13-,15-;/m0./s1.
What are the key properties of ethyl 1-[2-[methyl-[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]acetyl]piperidine-4-carboxylate;hydrochloride?
ethyl 1-[2-[methyl-[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]acetyl]piperidine-4-carboxylate;hydrochloride has a molecular weight of 389.92 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[methyl-[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]acetyl]piperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 120635241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).