2,2-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboxamide

C16H31N3O2 — CID 87002663

IUPAC2,2-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboxamide
SMILESCC1CCN(CCCNC(=O)N2CCOC(C)(C)C2)CC1
InChIInChI=1S/C16H31N3O2/c1-14-5-9-18(10-6-14)8-4-7-17-15(20)19-11-12-21-16(2,3)13-19/h14H,4-13H2,1-3H3,(H,17,20)
InChIKeyXOBWGRXAJNEBRB-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.93
Rot. Bonds4

About 2,2-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboxamide

2,2-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboxamide (PubChem CID 87002663) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboxamide
PubChem CID87002663
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name2,2-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboxamide
SMILESCC1CCN(CCCNC(=O)N2CCOC(C)(C)C2)CC1
InChIInChI=1S/C16H31N3O2/c1-14-5-9-18(10-6-14)8-4-7-17-15(20)19-11-12-21-16(2,3)13-19/h14H,4-13H2,1-3H3,(H,17,20)
InChIKeyXOBWGRXAJNEBRB-UHFFFAOYSA-N
XLogP1.93
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboxamide 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

N-ethyl-2,2-dimethylmorpholine-4-carboxamide
CID 115583911
4-[(2,2-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid
CID 107838552
N-[[(1R,3S)-1-(dimethylamino)-3-methylcyclohexyl]methyl]-2,2-dimethylmorpholine-4-carboxamide
CID 99631633
2-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 63679463
2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide
CID 108504537
(2S)-2-(hydroxymethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide
CID 111427784
(1S,7R)-7-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]-1-oxo-1,4-thiazepane-4-carboxamide
CID 124731142
2-(hydroxymethyl)-N-[4-(4-methylpiperidin-1-yl)butyl]pyrrolidine-1-carboxamide
CID 111427923
2-amino-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 61265469
(2S)-4-acetyl-2-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide
CID 124968264
4-methyl-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide
CID 115640943
1-amino-N-[4-(4-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119852388

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboxamide?
The IUPAC name of 2,2-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboxamide (CID 87002663) is 2,2-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboxamide is CC1CCN(CCCNC(=O)N2CCOC(C)(C)C2)CC1.
What is the InChIKey of 2,2-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboxamide?
The InChIKey is XOBWGRXAJNEBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-14-5-9-18(10-6-14)8-4-7-17-15(20)19-11-12-21-16(2,3)13-19/h14H,4-13H2,1-3H3,(H,17,20).
What are the key properties of 2,2-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboxamide?
2,2-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]morpholine-4-carboxamide is sourced from PubChem (CID 87002663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).