N-[3-(3-methylpiperidin-1-yl)propyl]-N'-(3-morpholin-4-ylphenyl)oxamide

C21H32N4O3 — CID 87039625

IUPACN-[3-(3-methylpiperidin-1-yl)propyl]-N'-(3-morpholin-4-ylphenyl)oxamide
SMILESCC1CCCN(CCCNC(=O)C(=O)Nc2cccc(N3CCOCC3)c2)C1
InChIInChI=1S/C21H32N4O3/c1-17-5-3-9-24(16-17)10-4-8-22-20(26)21(27)23-18-6-2-7-19(15-18)25-11-13-28-14-12-25/h2,6-7,15,17H,3-5,8-14,16H2,1H3,(H,22,26)(H,23,27)
InChIKeyWYMSYJRQHUSPID-UHFFFAOYSA-N
MW388.51 g/mol
LogP1.70
Rot. Bonds6

About N-[3-(3-methylpiperidin-1-yl)propyl]-N'-(3-morpholin-4-ylphenyl)oxamide

N-[3-(3-methylpiperidin-1-yl)propyl]-N'-(3-morpholin-4-ylphenyl)oxamide (PubChem CID 87039625) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[3-(3-methylpiperidin-1-yl)propyl]-N'-(3-morpholin-4-ylphenyl)oxamide.

Molecular Properties

Compound NameN-[3-(3-methylpiperidin-1-yl)propyl]-N'-(3-morpholin-4-ylphenyl)oxamide
PubChem CID87039625
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC NameN-[3-(3-methylpiperidin-1-yl)propyl]-N'-(3-morpholin-4-ylphenyl)oxamide
SMILESCC1CCCN(CCCNC(=O)C(=O)Nc2cccc(N3CCOCC3)c2)C1
InChIInChI=1S/C21H32N4O3/c1-17-5-3-9-24(16-17)10-4-8-22-20(26)21(27)23-18-6-2-7-19(15-18)25-11-13-28-14-12-25/h2,6-7,15,17H,3-5,8-14,16H2,1H3,(H,22,26)(H,23,27)
InChIKeyWYMSYJRQHUSPID-UHFFFAOYSA-N
XLogP1.70
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylpiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 4824447
N'-(4-ethyl-3-nitrophenyl)-N-[4-(3-methylpiperidin-1-yl)butyl]oxamide
CID 86997119
N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 94119670
1-(3-methoxyphenyl)-3-[3-[(3R)-3-methylpiperidin-1-yl]propyl]thiourea
CID 100738954
N-[3-(3-methylpiperidin-1-yl)propyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 20940421
N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-morpholin-4-ylphenyl)oxamide
CID 87039300
1-(2,6-difluorophenyl)-3-[3-[(3S)-3-methylpiperidin-1-yl]propyl]thiourea
CID 100739285
N-[3-(3-methylpiperidin-1-yl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 133189659
N'-(4-ethoxy-2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]oxamide
CID 86827115
N'-[3-(cyclopropylcarbamoyl)phenyl]-N-[3-(4-methylpiperidin-1-yl)propyl]oxamide
CID 86996575
4-[(3-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 43905022
N-(3-chlorophenyl)-4-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 52998732

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylpiperidin-1-yl)propyl]-N'-(3-morpholin-4-ylphenyl)oxamide?
The IUPAC name of N-[3-(3-methylpiperidin-1-yl)propyl]-N'-(3-morpholin-4-ylphenyl)oxamide (CID 87039625) is N-[3-(3-methylpiperidin-1-yl)propyl]-N'-(3-morpholin-4-ylphenyl)oxamide.
What is the SMILES notation for N-[3-(3-methylpiperidin-1-yl)propyl]-N'-(3-morpholin-4-ylphenyl)oxamide?
The canonical SMILES for N-[3-(3-methylpiperidin-1-yl)propyl]-N'-(3-morpholin-4-ylphenyl)oxamide is CC1CCCN(CCCNC(=O)C(=O)Nc2cccc(N3CCOCC3)c2)C1.
What is the InChIKey of N-[3-(3-methylpiperidin-1-yl)propyl]-N'-(3-morpholin-4-ylphenyl)oxamide?
The InChIKey is WYMSYJRQHUSPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-17-5-3-9-24(16-17)10-4-8-22-20(26)21(27)23-18-6-2-7-19(15-18)25-11-13-28-14-12-25/h2,6-7,15,17H,3-5,8-14,16H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-[3-(3-methylpiperidin-1-yl)propyl]-N'-(3-morpholin-4-ylphenyl)oxamide?
N-[3-(3-methylpiperidin-1-yl)propyl]-N'-(3-morpholin-4-ylphenyl)oxamide has a molecular weight of 388.51 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylpiperidin-1-yl)propyl]-N'-(3-morpholin-4-ylphenyl)oxamide is sourced from PubChem (CID 87039625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).