N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide

C13H25N3O2 — CID 119850991

IUPACN-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide
SMILESCC1CCCN(CCNC(=O)C2COCCN2)C1
InChIInChI=1S/C13H25N3O2/c1-11-3-2-6-16(9-11)7-4-15-13(17)12-10-18-8-5-14-12/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyBCGIKHSFTMEAAK-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.18
Rot. Bonds4

About N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide

N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide (PubChem CID 119850991) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide
PubChem CID119850991
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide
SMILESCC1CCCN(CCNC(=O)C2COCCN2)C1
InChIInChI=1S/C13H25N3O2/c1-11-3-2-6-16(9-11)7-4-15-13(17)12-10-18-8-5-14-12/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyBCGIKHSFTMEAAK-UHFFFAOYSA-N
XLogP-0.18
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide?
The IUPAC name of N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide (CID 119850991) is N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide?
The canonical SMILES for N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide is CC1CCCN(CCNC(=O)C2COCCN2)C1.
What is the InChIKey of N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide?
The InChIKey is BCGIKHSFTMEAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-11-3-2-6-16(9-11)7-4-15-13(17)12-10-18-8-5-14-12/h11-12,14H,2-10H2,1H3,(H,15,17).
What are the key properties of N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide?
N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide has a molecular weight of 255.36 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide is sourced from PubChem (CID 119850991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).