1-(3-amino-2-methyl-3-oxopropanoyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide

C12H21N3O4 — CID 173078011

IUPAC1-(3-amino-2-methyl-3-oxopropanoyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide
SMILESCC(C(N)=O)C(=O)N1CCCC(C(=O)NCCO)C1
InChIInChI=1S/C12H21N3O4/c1-8(10(13)17)12(19)15-5-2-3-9(7-15)11(18)14-4-6-16/h8-9,16H,2-7H2,1H3,(H2,13,17)(H,14,18)
InChIKeyXTUXSGIWFVRHDS-UHFFFAOYSA-N
MW271.32 g/mol
LogP-1.55
Rot. Bonds5

About 1-(3-amino-2-methyl-3-oxopropanoyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide

1-(3-amino-2-methyl-3-oxopropanoyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide (PubChem CID 173078011) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(3-amino-2-methyl-3-oxopropanoyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-amino-2-methyl-3-oxopropanoyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide
PubChem CID173078011
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name1-(3-amino-2-methyl-3-oxopropanoyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide
SMILESCC(C(N)=O)C(=O)N1CCCC(C(=O)NCCO)C1
InChIInChI=1S/C12H21N3O4/c1-8(10(13)17)12(19)15-5-2-3-9(7-15)11(18)14-4-6-16/h8-9,16H,2-7H2,1H3,(H2,13,17)(H,14,18)
InChIKeyXTUXSGIWFVRHDS-UHFFFAOYSA-N
XLogP-1.55
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-1-[2-(azepan-1-yl)propanoyl]piperidine-3-carboxamide;dihydrochloride
CID 119479980
N-(2-aminoethyl)-1-(2-methoxypropanoyl)piperidine-3-carboxamide;hydrochloride
CID 119482363
N-ethyl-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 60753425
(3R)-N-ethyl-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxamide
CID 95318260
methyl 2-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]acetate
CID 43431630
5-[[1-(2-methylpropanoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 62033036
3-N-[(2S)-2-hydroxypropyl]piperidine-1,3-dicarboxamide
CID 83059648
N-(3-hydroxy-4-methylpentyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide
CID 111460809
N-(2-aminoethyl)-1-(2-butylsulfanylpropanoyl)piperidine-3-carboxamide
CID 119480340
1-(2-sulfanylpropanoyl)piperidine-3-carboxamide
CID 107019311
N-(3-hydroxybutyl)-1-propanoylpiperidine-3-carboxamide
CID 111429215
1-(cyclopropanecarbonyl)-N-(5-hydroxy-4-methylpentyl)piperidine-3-carboxamide
CID 103862358

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methyl-3-oxopropanoyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3-amino-2-methyl-3-oxopropanoyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide (CID 173078011) is 1-(3-amino-2-methyl-3-oxopropanoyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-amino-2-methyl-3-oxopropanoyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3-amino-2-methyl-3-oxopropanoyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide is CC(C(N)=O)C(=O)N1CCCC(C(=O)NCCO)C1.
What is the InChIKey of 1-(3-amino-2-methyl-3-oxopropanoyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide?
The InChIKey is XTUXSGIWFVRHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-8(10(13)17)12(19)15-5-2-3-9(7-15)11(18)14-4-6-16/h8-9,16H,2-7H2,1H3,(H2,13,17)(H,14,18).
What are the key properties of 1-(3-amino-2-methyl-3-oxopropanoyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide?
1-(3-amino-2-methyl-3-oxopropanoyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of -1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methyl-3-oxopropanoyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide is sourced from PubChem (CID 173078011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).