methyl 2-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]acetate;hydrochloride

C12H19ClN4O3 — CID 120924676

IUPACmethyl 2-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]acetate;hydrochloride
SMILESCOC(=O)CNC(=O)C1(n2cccn2)CCNCC1.Cl
InChIInChI=1S/C12H18N4O3.ClH/c1-19-10(17)9-14-11(18)12(3-6-13-7-4-12)16-8-2-5-15-16;/h2,5,8,13H,3-4,6-7,9H2,1H3,(H,14,18);1H
InChIKeyRKTKFCBMPHCCET-UHFFFAOYSA-N
MW302.76 g/mol
LogP-0.33
Rot. Bonds4

About methyl 2-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]acetate;hydrochloride

methyl 2-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]acetate;hydrochloride (PubChem CID 120924676) has the molecular formula C12H19ClN4O3 and a molecular weight of 302.76 g/mol. Its IUPAC name is methyl 2-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]acetate;hydrochloride
PubChem CID120924676
Molecular FormulaC12H19ClN4O3
Molecular Weight302.76 g/mol
Exact Mass302.11
IUPAC Namemethyl 2-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]acetate;hydrochloride
SMILESCOC(=O)CNC(=O)C1(n2cccn2)CCNCC1.Cl
InChIInChI=1S/C12H18N4O3.ClH/c1-19-10(17)9-14-11(18)12(3-6-13-7-4-12)16-8-2-5-15-16;/h2,5,8,13H,3-4,6-7,9H2,1H3,(H,14,18);1H
InChIKeyRKTKFCBMPHCCET-UHFFFAOYSA-N
XLogP-0.33
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919791
N-(2-methoxy-2-methylpropyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120933453
N-(2,2-dimethylpropyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120922205
N-[2-oxo-2-(propylamino)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120919424
methyl 2-[[4-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]benzoyl]amino]acetate
CID 120919843
4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride
CID 120924691
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120937238
N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120936238
N-[(2-methylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924383
N-[(1-ethylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120932245
N-[(2,2-dimethylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120932686
N-[[1-(2-methylpropyl)cyclobutyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120933221

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]acetate;hydrochloride?
The IUPAC name of methyl 2-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]acetate;hydrochloride (CID 120924676) is methyl 2-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]acetate;hydrochloride?
The canonical SMILES for methyl 2-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]acetate;hydrochloride is COC(=O)CNC(=O)C1(n2cccn2)CCNCC1.Cl.
What is the InChIKey of methyl 2-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]acetate;hydrochloride?
The InChIKey is RKTKFCBMPHCCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3.ClH/c1-19-10(17)9-14-11(18)12(3-6-13-7-4-12)16-8-2-5-15-16;/h2,5,8,13H,3-4,6-7,9H2,1H3,(H,14,18);1H.
What are the key properties of methyl 2-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]acetate;hydrochloride?
methyl 2-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]acetate;hydrochloride has a molecular weight of 302.76 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]acetate;hydrochloride is sourced from PubChem (CID 120924676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).