1-(2-aminoacetyl)piperidine-4-carbonyl chloride

C8H13ClN2O2 — CID 130772227

IUPAC1-(2-aminoacetyl)piperidine-4-carbonyl chloride
SMILESNCC(=O)N1CCC(C(=O)Cl)CC1
InChIInChI=1S/C8H13ClN2O2/c9-8(13)6-1-3-11(4-2-6)7(12)5-10/h6H,1-5,10H2
InChIKeyUMBROXVODDVYRL-UHFFFAOYSA-N
MW204.66 g/mol
LogP-0.05
Rot. Bonds2

About 1-(2-aminoacetyl)piperidine-4-carbonyl chloride

1-(2-aminoacetyl)piperidine-4-carbonyl chloride (PubChem CID 130772227) has the molecular formula C8H13ClN2O2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 1-(2-aminoacetyl)piperidine-4-carbonyl chloride.

Molecular Properties

Compound Name1-(2-aminoacetyl)piperidine-4-carbonyl chloride
PubChem CID130772227
Molecular FormulaC8H13ClN2O2
Molecular Weight204.66 g/mol
Exact Mass204.07
IUPAC Name1-(2-aminoacetyl)piperidine-4-carbonyl chloride
SMILESNCC(=O)N1CCC(C(=O)Cl)CC1
InChIInChI=1S/C8H13ClN2O2/c9-8(13)6-1-3-11(4-2-6)7(12)5-10/h6H,1-5,10H2
InChIKeyUMBROXVODDVYRL-UHFFFAOYSA-N
XLogP-0.05
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride
CID 131106028
2-amino-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethanone
CID 68733933
2-amino-1-piperidin-1-ylethanone;methanol
CID 142937104
2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119280540
2-amino-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 24697792
2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone;dihydrochloride
CID 119877838
1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone
CID 119313911
2-amino-1-(4,4-dimethylpiperidin-1-yl)ethanone;ethane
CID 142306561
2-amino-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethanone
CID 119876027
2-amino-1-[4-[(3,5-dichlorophenoxy)methyl]piperidin-1-yl]ethanone;hydrochloride
CID 119333514
2-amino-1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 95557941
2-amino-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 66564445

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoacetyl)piperidine-4-carbonyl chloride?
The IUPAC name of 1-(2-aminoacetyl)piperidine-4-carbonyl chloride (CID 130772227) is 1-(2-aminoacetyl)piperidine-4-carbonyl chloride.
What is the SMILES notation for 1-(2-aminoacetyl)piperidine-4-carbonyl chloride?
The canonical SMILES for 1-(2-aminoacetyl)piperidine-4-carbonyl chloride is NCC(=O)N1CCC(C(=O)Cl)CC1.
What is the InChIKey of 1-(2-aminoacetyl)piperidine-4-carbonyl chloride?
The InChIKey is UMBROXVODDVYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O2/c9-8(13)6-1-3-11(4-2-6)7(12)5-10/h6H,1-5,10H2.
What are the key properties of 1-(2-aminoacetyl)piperidine-4-carbonyl chloride?
1-(2-aminoacetyl)piperidine-4-carbonyl chloride has a molecular weight of 204.66 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoacetyl)piperidine-4-carbonyl chloride is sourced from PubChem (CID 130772227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).