N-[2-(1-benzylpiperidin-4-yl)ethyl]morpholine-2-carboxamide

C19H29N3O2 — CID 56915870

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]morpholine-2-carboxamide
SMILESO=C(NCCC1CCN(Cc2ccccc2)CC1)C1CNCCO1
InChIInChI=1S/C19H29N3O2/c23-19(18-14-20-10-13-24-18)21-9-6-16-7-11-22(12-8-16)15-17-4-2-1-3-5-17/h1-5,16,18,20H,6-15H2,(H,21,23)
InChIKeyUWIQEBXHIQWZLF-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.39
Rot. Bonds6

About N-[2-(1-benzylpiperidin-4-yl)ethyl]morpholine-2-carboxamide

N-[2-(1-benzylpiperidin-4-yl)ethyl]morpholine-2-carboxamide (PubChem CID 56915870) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]morpholine-2-carboxamide
PubChem CID56915870
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]morpholine-2-carboxamide
SMILESO=C(NCCC1CCN(Cc2ccccc2)CC1)C1CNCCO1
InChIInChI=1S/C19H29N3O2/c23-19(18-14-20-10-13-24-18)21-9-6-16-7-11-22(12-8-16)15-17-4-2-1-3-5-17/h1-5,16,18,20H,6-15H2,(H,21,23)
InChIKeyUWIQEBXHIQWZLF-UHFFFAOYSA-N
XLogP1.39
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]morpholine-2-carboxamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]morpholine-2-carboxamide (CID 56915870) is N-[2-(1-benzylpiperidin-4-yl)ethyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]morpholine-2-carboxamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]morpholine-2-carboxamide is O=C(NCCC1CCN(Cc2ccccc2)CC1)C1CNCCO1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]morpholine-2-carboxamide?
The InChIKey is UWIQEBXHIQWZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c23-19(18-14-20-10-13-24-18)21-9-6-16-7-11-22(12-8-16)15-17-4-2-1-3-5-17/h1-5,16,18,20H,6-15H2,(H,21,23).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]morpholine-2-carboxamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]morpholine-2-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 56915870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).