N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxypiperidine-4-carboxamide

C10H19N3O4 — CID 114284552

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCC(O)C(N)=O)CCNCC1
InChIInChI=1S/C10H19N3O4/c1-17-10(2-4-12-5-3-10)9(16)13-6-7(14)8(11)15/h7,12,14H,2-6H2,1H3,(H2,11,15)(H,13,16)
InChIKeyNAMQFMPVKSVKTL-UHFFFAOYSA-N
MW245.28 g/mol
LogP-2.28
Rot. Bonds5

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

N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxypiperidine-4-carboxamide (PubChem CID 114284552) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxypiperidine-4-carboxamide
PubChem CID114284552
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCC(O)C(N)=O)CCNCC1
InChIInChI=1S/C10H19N3O4/c1-17-10(2-4-12-5-3-10)9(16)13-6-7(14)8(11)15/h7,12,14H,2-6H2,1H3,(H2,11,15)(H,13,16)
InChIKeyNAMQFMPVKSVKTL-UHFFFAOYSA-N
XLogP-2.28
TPSA113.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-2.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxypiperidine-4-carboxamide (CID 114284552) is N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxypiperidine-4-carboxamide is COC1(C(=O)NCC(O)C(N)=O)CCNCC1.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxypiperidine-4-carboxamide?
The InChIKey is NAMQFMPVKSVKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-17-10(2-4-12-5-3-10)9(16)13-6-7(14)8(11)15/h7,12,14H,2-6H2,1H3,(H2,11,15)(H,13,16).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxypiperidine-4-carboxamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methoxypiperidine-4-carboxamide has a molecular weight of 245.28 g/mol, XLogP of -2.28, 5 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-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 114284552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).