N-[(1-benzylpiperidin-2-yl)methyl]morpholine-3-carboxamide

C18H27N3O2 — CID 119861728

IUPACN-[(1-benzylpiperidin-2-yl)methyl]morpholine-3-carboxamide
SMILESO=C(NCC1CCCCN1Cc1ccccc1)C1COCCN1
InChIInChI=1S/C18H27N3O2/c22-18(17-14-23-11-9-19-17)20-12-16-8-4-5-10-21(16)13-15-6-2-1-3-7-15/h1-3,6-7,16-17,19H,4-5,8-14H2,(H,20,22)
InChIKeyFWTJRZSSQXVAMQ-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.15
Rot. Bonds5

About N-[(1-benzylpiperidin-2-yl)methyl]morpholine-3-carboxamide

N-[(1-benzylpiperidin-2-yl)methyl]morpholine-3-carboxamide (PubChem CID 119861728) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-2-yl)methyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-2-yl)methyl]morpholine-3-carboxamide
PubChem CID119861728
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[(1-benzylpiperidin-2-yl)methyl]morpholine-3-carboxamide
SMILESO=C(NCC1CCCCN1Cc1ccccc1)C1COCCN1
InChIInChI=1S/C18H27N3O2/c22-18(17-14-23-11-9-19-17)20-12-16-8-4-5-10-21(16)13-15-6-2-1-3-7-15/h1-3,6-7,16-17,19H,4-5,8-14H2,(H,20,22)
InChIKeyFWTJRZSSQXVAMQ-UHFFFAOYSA-N
XLogP1.15
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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cis-N,5-dibenzyl-6-oxomorpholine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-2-yl)methyl]morpholine-3-carboxamide?
The IUPAC name of N-[(1-benzylpiperidin-2-yl)methyl]morpholine-3-carboxamide (CID 119861728) is N-[(1-benzylpiperidin-2-yl)methyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[(1-benzylpiperidin-2-yl)methyl]morpholine-3-carboxamide?
The canonical SMILES for N-[(1-benzylpiperidin-2-yl)methyl]morpholine-3-carboxamide is O=C(NCC1CCCCN1Cc1ccccc1)C1COCCN1.
What is the InChIKey of N-[(1-benzylpiperidin-2-yl)methyl]morpholine-3-carboxamide?
The InChIKey is FWTJRZSSQXVAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c22-18(17-14-23-11-9-19-17)20-12-16-8-4-5-10-21(16)13-15-6-2-1-3-7-15/h1-3,6-7,16-17,19H,4-5,8-14H2,(H,20,22).
What are the key properties of N-[(1-benzylpiperidin-2-yl)methyl]morpholine-3-carboxamide?
N-[(1-benzylpiperidin-2-yl)methyl]morpholine-3-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-2-yl)methyl]morpholine-3-carboxamide is sourced from PubChem (CID 119861728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).