[2-(methylamino)-2-oxoethyl]-piperidin-4-ylcarbamic acid;hydrochloride

C9H18ClN3O3 — CID 142757732

IUPAC[2-(methylamino)-2-oxoethyl]-piperidin-4-ylcarbamic acid;hydrochloride
SMILESCNC(=O)CN(C(=O)O)C1CCNCC1.Cl
InChIInChI=1S/C9H17N3O3.ClH/c1-10-8(13)6-12(9(14)15)7-2-4-11-5-3-7;/h7,11H,2-6H2,1H3,(H,10,13)(H,14,15);1H
InChIKeyBLTSURSMWFRBFV-UHFFFAOYSA-N
MW251.71 g/mol
LogP-0.11
Rot. Bonds3

About [2-(methylamino)-2-oxoethyl]-piperidin-4-ylcarbamic acid;hydrochloride

[2-(methylamino)-2-oxoethyl]-piperidin-4-ylcarbamic acid;hydrochloride (PubChem CID 142757732) has the molecular formula C9H18ClN3O3 and a molecular weight of 251.71 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl]-piperidin-4-ylcarbamic acid;hydrochloride.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl]-piperidin-4-ylcarbamic acid;hydrochloride
PubChem CID142757732
Molecular FormulaC9H18ClN3O3
Molecular Weight251.71 g/mol
Exact Mass251.10
IUPAC Name[2-(methylamino)-2-oxoethyl]-piperidin-4-ylcarbamic acid;hydrochloride
SMILESCNC(=O)CN(C(=O)O)C1CCNCC1.Cl
InChIInChI=1S/C9H17N3O3.ClH/c1-10-8(13)6-12(9(14)15)7-2-4-11-5-3-7;/h7,11H,2-6H2,1H3,(H,10,13)(H,14,15);1H
InChIKeyBLTSURSMWFRBFV-UHFFFAOYSA-N
XLogP-0.11
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-(methylamino)-2-oxoethyl]-piperidin-4-ylcarbamic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide
CID 64851792
methyl N-ethyl-N-piperidin-4-ylcarbamate;hydrochloride
CID 155407834
2-[carboxymethyl-[ethyl(piperidin-4-yl)carbamoyl]amino]acetic acid
CID 63646801
2-[azepan-4-yl(methyl)amino]-N-(methylcarbamoyl)acetamide
CID 104979461
N-(cyclopropylmethyl)-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
CID 119913473
2-[[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid
CID 61408503
N-methyl-2-(piperidin-4-ylmethylamino)acetamide
CID 79708074
2-[ethyl-[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid
CID 61408551
N-methyl-2-[methyl(pyrrolidin-3-ylsulfonyl)amino]acetamide
CID 65420708
2-[methyl(piperidin-4-yl)amino]-N-(2-methylpropyl)acetamide;hydrochloride
CID 119913617
methyl 3-[acetyl(piperidin-4-yl)amino]propanoate;hydrochloride
CID 67598911
benzyl(piperidin-4-yl)carbamic acid
CID 54298382

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl]-piperidin-4-ylcarbamic acid;hydrochloride?
The IUPAC name of [2-(methylamino)-2-oxoethyl]-piperidin-4-ylcarbamic acid;hydrochloride (CID 142757732) is [2-(methylamino)-2-oxoethyl]-piperidin-4-ylcarbamic acid;hydrochloride.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl]-piperidin-4-ylcarbamic acid;hydrochloride?
The canonical SMILES for [2-(methylamino)-2-oxoethyl]-piperidin-4-ylcarbamic acid;hydrochloride is CNC(=O)CN(C(=O)O)C1CCNCC1.Cl.
What is the InChIKey of [2-(methylamino)-2-oxoethyl]-piperidin-4-ylcarbamic acid;hydrochloride?
The InChIKey is BLTSURSMWFRBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3.ClH/c1-10-8(13)6-12(9(14)15)7-2-4-11-5-3-7;/h7,11H,2-6H2,1H3,(H,10,13)(H,14,15);1H.
What are the key properties of [2-(methylamino)-2-oxoethyl]-piperidin-4-ylcarbamic acid;hydrochloride?
[2-(methylamino)-2-oxoethyl]-piperidin-4-ylcarbamic acid;hydrochloride has a molecular weight of 251.71 g/mol, XLogP of -0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl]-piperidin-4-ylcarbamic acid;hydrochloride is sourced from PubChem (CID 142757732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).