N-(3-amino-2-hydroxy-3-oxopropyl)-4-(methoxymethyl)piperidine-4-carboxamide

C11H21N3O4 — CID 114154115

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCC(O)C(N)=O)CCNCC1
InChIInChI=1S/C11H21N3O4/c1-18-7-11(2-4-13-5-3-11)10(17)14-6-8(15)9(12)16/h8,13,15H,2-7H2,1H3,(H2,12,16)(H,14,17)
InChIKeySYBJLGHRIXSIPR-UHFFFAOYSA-N
MW259.31 g/mol
LogP-2.04
Rot. Bonds6

About N-(3-amino-2-hydroxy-3-oxopropyl)-4-(methoxymethyl)piperidine-4-carboxamide

N-(3-amino-2-hydroxy-3-oxopropyl)-4-(methoxymethyl)piperidine-4-carboxamide (PubChem CID 114154115) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-4-(methoxymethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-4-(methoxymethyl)piperidine-4-carboxamide
PubChem CID114154115
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCC(O)C(N)=O)CCNCC1
InChIInChI=1S/C11H21N3O4/c1-18-7-11(2-4-13-5-3-11)10(17)14-6-8(15)9(12)16/h8,13,15H,2-7H2,1H3,(H2,12,16)(H,14,17)
InChIKeySYBJLGHRIXSIPR-UHFFFAOYSA-N
XLogP-2.04
TPSA113.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-2.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(piperidin-4-ylmethylamino)propyl]butanamide
CID 90682638
4-(methoxymethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxamide
CID 105646048
N-(3,3-difluoro-2-hydroxypropyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 114093580
4-(methoxymethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-4-carboxamide;hydrochloride
CID 120625022
N-[(1-acetylpiperidin-4-yl)methyl]-2-hydroxybutanediamide
CID 126634526
4-(hydroxymethyl)-N-[(2S,3R)-3-hydroxy-4-(methylamino)-4-oxobutan-2-yl]-2-oxopiperidine-4-carboxamide
CID 134230367
N-(2-hydroxy-4,4-dimethylpentyl)-2-morpholin-2-ylacetamide
CID 103811930
N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 105650028
N-(3-ethyl-2-hydroxypentyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 105650107
N-(2,3-dimethoxypropyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 105695790
2-Methoxy-3-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]propanoic acid
CID 106108949
1-(3-amino-2-methoxypropanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 106112212

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-4-(methoxymethyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-4-(methoxymethyl)piperidine-4-carboxamide (CID 114154115) is N-(3-amino-2-hydroxy-3-oxopropyl)-4-(methoxymethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-4-(methoxymethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-4-(methoxymethyl)piperidine-4-carboxamide is COCC1(C(=O)NCC(O)C(N)=O)CCNCC1.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-4-(methoxymethyl)piperidine-4-carboxamide?
The InChIKey is SYBJLGHRIXSIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-18-7-11(2-4-13-5-3-11)10(17)14-6-8(15)9(12)16/h8,13,15H,2-7H2,1H3,(H2,12,16)(H,14,17).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-4-(methoxymethyl)piperidine-4-carboxamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-4-(methoxymethyl)piperidine-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of -2.04, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-4-(methoxymethyl)piperidine-4-carboxamide is sourced from PubChem (CID 114154115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).