1-benzylpiperidin-4-one;4-(2-isocyanoethyl)morpholine

C19H27N3O2 — CID 87821713

IUPAC1-benzylpiperidin-4-one;4-(2-isocyanoethyl)morpholine
SMILESO=C1CCN(Cc2ccccc2)CC1.[C-]#[N+]CCN1CCOCC1
InChIInChI=1S/C12H15NO.C7H12N2O/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11;1-8-2-3-9-4-6-10-7-5-9/h1-5H,6-10H2;2-7H2
InChIKeyNAMUSEIAQNDZBZ-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.09
Rot. Bonds4

About 1-benzylpiperidin-4-one;4-(2-isocyanoethyl)morpholine

1-benzylpiperidin-4-one;4-(2-isocyanoethyl)morpholine (PubChem CID 87821713) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-benzylpiperidin-4-one;4-(2-isocyanoethyl)morpholine.

Molecular Properties

Compound Name1-benzylpiperidin-4-one;4-(2-isocyanoethyl)morpholine
PubChem CID87821713
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-benzylpiperidin-4-one;4-(2-isocyanoethyl)morpholine
SMILESO=C1CCN(Cc2ccccc2)CC1.[C-]#[N+]CCN1CCOCC1
InChIInChI=1S/C12H15NO.C7H12N2O/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11;1-8-2-3-9-4-6-10-7-5-9/h1-5H,6-10H2;2-7H2
InChIKeyNAMUSEIAQNDZBZ-UHFFFAOYSA-N
XLogP2.09
TPSA37.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 1-benzylpiperidin-4-one;4-(2-isocyanoethyl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,16-bis[12-(16-benzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl)dodecyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 10418954
8-benzyl-1,4,8-oxadiazecan-5-one
CID 110200993
1-benzylpiperidin-4-one;butane
CID 70571840
dilithium;4-benzylmorpholine;sulfite
CID 160525639
7-benzyl-16-bromo-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 177071319
4-[2-[4-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethyl]morpholine
CID 171913248
2-(4-benzylpiperazin-1-yl)ethyl-methylidyneazanium
CID 23912288
1-[[3-(4-morpholin-4-ylbutoxy)phenyl]methyl]-1,4-diazepan-5-one
CID 77093940
methane;4-(2-phenylethyl)morpholine
CID 143698819
(6R)-1-benzyl-4-(2-morpholin-4-ylethyl)-1,4-diazepan-6-ol
CID 97435614
10-benzyl-1,4-dioxa-7,10,13-triazacyclopentadecane-6,14-dione
CID 10088312
1-benzyl-3,3-dimethylpiperidin-4-one;1-benzylpiperidin-4-one
CID 159724836

Frequently Asked Questions

What is the IUPAC name of 1-benzylpiperidin-4-one;4-(2-isocyanoethyl)morpholine?
The IUPAC name of 1-benzylpiperidin-4-one;4-(2-isocyanoethyl)morpholine (CID 87821713) is 1-benzylpiperidin-4-one;4-(2-isocyanoethyl)morpholine.
What is the SMILES notation for 1-benzylpiperidin-4-one;4-(2-isocyanoethyl)morpholine?
The canonical SMILES for 1-benzylpiperidin-4-one;4-(2-isocyanoethyl)morpholine is O=C1CCN(Cc2ccccc2)CC1.[C-]#[N+]CCN1CCOCC1.
What is the InChIKey of 1-benzylpiperidin-4-one;4-(2-isocyanoethyl)morpholine?
The InChIKey is NAMUSEIAQNDZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.C7H12N2O/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11;1-8-2-3-9-4-6-10-7-5-9/h1-5H,6-10H2;2-7H2.
What are the key properties of 1-benzylpiperidin-4-one;4-(2-isocyanoethyl)morpholine?
1-benzylpiperidin-4-one;4-(2-isocyanoethyl)morpholine has a molecular weight of 329.44 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylpiperidin-4-one;4-(2-isocyanoethyl)morpholine is sourced from PubChem (CID 87821713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).