N-(2-hydroxyethyl)-4-(2-oxopiperidin-1-yl)piperidine-4-carboxamide

C13H23N3O3 — CID 22903732

IUPACN-(2-hydroxyethyl)-4-(2-oxopiperidin-1-yl)piperidine-4-carboxamide
SMILESO=C1CCCCN1C1(C(=O)NCCO)CCNCC1
InChIInChI=1S/C13H23N3O3/c17-10-8-15-12(19)13(4-6-14-7-5-13)16-9-2-1-3-11(16)18/h14,17H,1-10H2,(H,15,19)
InChIKeyADLVLVMGZCDFTA-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.77
Rot. Bonds4

About N-(2-hydroxyethyl)-4-(2-oxopiperidin-1-yl)piperidine-4-carboxamide

N-(2-hydroxyethyl)-4-(2-oxopiperidin-1-yl)piperidine-4-carboxamide (PubChem CID 22903732) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-(2-oxopiperidin-1-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-(2-oxopiperidin-1-yl)piperidine-4-carboxamide
PubChem CID22903732
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN-(2-hydroxyethyl)-4-(2-oxopiperidin-1-yl)piperidine-4-carboxamide
SMILESO=C1CCCCN1C1(C(=O)NCCO)CCNCC1
InChIInChI=1S/C13H23N3O3/c17-10-8-15-12(19)13(4-6-14-7-5-13)16-9-2-1-3-11(16)18/h14,17H,1-10H2,(H,15,19)
InChIKeyADLVLVMGZCDFTA-UHFFFAOYSA-N
XLogP-0.77
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-(2-oxopiperidin-1-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-4-(2-oxopiperidin-1-yl)piperidine-4-carboxamide (CID 22903732) is N-(2-hydroxyethyl)-4-(2-oxopiperidin-1-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-(2-oxopiperidin-1-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-(2-oxopiperidin-1-yl)piperidine-4-carboxamide is O=C1CCCCN1C1(C(=O)NCCO)CCNCC1.
What is the InChIKey of N-(2-hydroxyethyl)-4-(2-oxopiperidin-1-yl)piperidine-4-carboxamide?
The InChIKey is ADLVLVMGZCDFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c17-10-8-15-12(19)13(4-6-14-7-5-13)16-9-2-1-3-11(16)18/h14,17H,1-10H2,(H,15,19).
What are the key properties of N-(2-hydroxyethyl)-4-(2-oxopiperidin-1-yl)piperidine-4-carboxamide?
N-(2-hydroxyethyl)-4-(2-oxopiperidin-1-yl)piperidine-4-carboxamide has a molecular weight of 269.34 g/mol, XLogP of -0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-(2-oxopiperidin-1-yl)piperidine-4-carboxamide is sourced from PubChem (CID 22903732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).