4-[(3-hydroxyoxolan-3-yl)methylamino]piperidine-1-carboxamide

C11H21N3O3 — CID 113349181

IUPAC4-[(3-hydroxyoxolan-3-yl)methylamino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(NCC2(O)CCOC2)CC1
InChIInChI=1S/C11H21N3O3/c12-10(15)14-4-1-9(2-5-14)13-7-11(16)3-6-17-8-11/h9,13,16H,1-8H2,(H2,12,15)
InChIKeyOUJPUHOXQMRQRQ-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.73
Rot. Bonds3

About 4-[(3-hydroxyoxolan-3-yl)methylamino]piperidine-1-carboxamide

4-[(3-hydroxyoxolan-3-yl)methylamino]piperidine-1-carboxamide (PubChem CID 113349181) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-[(3-hydroxyoxolan-3-yl)methylamino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(3-hydroxyoxolan-3-yl)methylamino]piperidine-1-carboxamide
PubChem CID113349181
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name4-[(3-hydroxyoxolan-3-yl)methylamino]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(NCC2(O)CCOC2)CC1
InChIInChI=1S/C11H21N3O3/c12-10(15)14-4-1-9(2-5-14)13-7-11(16)3-6-17-8-11/h9,13,16H,1-8H2,(H2,12,15)
InChIKeyOUJPUHOXQMRQRQ-UHFFFAOYSA-N
XLogP-0.73
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxyoxolan-3-yl)methylamino]piperidine-1-carboxamide?
The IUPAC name of 4-[(3-hydroxyoxolan-3-yl)methylamino]piperidine-1-carboxamide (CID 113349181) is 4-[(3-hydroxyoxolan-3-yl)methylamino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[(3-hydroxyoxolan-3-yl)methylamino]piperidine-1-carboxamide?
The canonical SMILES for 4-[(3-hydroxyoxolan-3-yl)methylamino]piperidine-1-carboxamide is NC(=O)N1CCC(NCC2(O)CCOC2)CC1.
What is the InChIKey of 4-[(3-hydroxyoxolan-3-yl)methylamino]piperidine-1-carboxamide?
The InChIKey is OUJPUHOXQMRQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c12-10(15)14-4-1-9(2-5-14)13-7-11(16)3-6-17-8-11/h9,13,16H,1-8H2,(H2,12,15).
What are the key properties of 4-[(3-hydroxyoxolan-3-yl)methylamino]piperidine-1-carboxamide?
4-[(3-hydroxyoxolan-3-yl)methylamino]piperidine-1-carboxamide has a molecular weight of 243.31 g/mol, XLogP of -0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxyoxolan-3-yl)methylamino]piperidine-1-carboxamide is sourced from PubChem (CID 113349181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).