N'-[3-(cyclopropylcarbamoyl)phenyl]-N-[3-(4-methylpiperidin-1-yl)propyl]oxamide

C21H30N4O3 — CID 86996575

IUPACN'-[3-(cyclopropylcarbamoyl)phenyl]-N-[3-(4-methylpiperidin-1-yl)propyl]oxamide
SMILESCC1CCN(CCCNC(=O)C(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1
InChIInChI=1S/C21H30N4O3/c1-15-8-12-25(13-9-15)11-3-10-22-20(27)21(28)24-18-5-2-4-16(14-18)19(26)23-17-6-7-17/h2,4-5,14-15,17H,3,6-13H2,1H3,(H,22,27)(H,23,26)(H,24,28)
InChIKeyGRFJUNCKEXPLFN-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.76
Rot. Bonds7

About N'-[3-(cyclopropylcarbamoyl)phenyl]-N-[3-(4-methylpiperidin-1-yl)propyl]oxamide

N'-[3-(cyclopropylcarbamoyl)phenyl]-N-[3-(4-methylpiperidin-1-yl)propyl]oxamide (PubChem CID 86996575) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is N'-[3-(cyclopropylcarbamoyl)phenyl]-N-[3-(4-methylpiperidin-1-yl)propyl]oxamide.

Molecular Properties

Compound NameN'-[3-(cyclopropylcarbamoyl)phenyl]-N-[3-(4-methylpiperidin-1-yl)propyl]oxamide
PubChem CID86996575
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC NameN'-[3-(cyclopropylcarbamoyl)phenyl]-N-[3-(4-methylpiperidin-1-yl)propyl]oxamide
SMILESCC1CCN(CCCNC(=O)C(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1
InChIInChI=1S/C21H30N4O3/c1-15-8-12-25(13-9-15)11-3-10-22-20(27)21(28)24-18-5-2-4-16(14-18)19(26)23-17-6-7-17/h2,4-5,14-15,17H,3,6-13H2,1H3,(H,22,27)(H,23,26)(H,24,28)
InChIKeyGRFJUNCKEXPLFN-UHFFFAOYSA-N
XLogP1.76
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N-[3-[4-(4-methylpiperidin-1-yl)butylcarbamoyl]phenyl]furan-2-carboxamide
CID 55847878
N'-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 55746271
3-[(4-fluorobenzoyl)amino]-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 47050208
3-(2,2-dimethylpropanoylamino)-N-(4-methylcyclohexyl)benzamide
CID 134057675
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide
CID 119908377
3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide
CID 51162231
N-[3-(cyclopropylcarbamoyl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
CID 27447562
3-(cyclopropanecarbonylamino)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392891
N-[3-(4-methylpiperidin-1-yl)propyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 35415769
N-[3-[(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55634621
N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 100628883
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111

Frequently Asked Questions

What is the IUPAC name of N'-[3-(cyclopropylcarbamoyl)phenyl]-N-[3-(4-methylpiperidin-1-yl)propyl]oxamide?
The IUPAC name of N'-[3-(cyclopropylcarbamoyl)phenyl]-N-[3-(4-methylpiperidin-1-yl)propyl]oxamide (CID 86996575) is N'-[3-(cyclopropylcarbamoyl)phenyl]-N-[3-(4-methylpiperidin-1-yl)propyl]oxamide.
What is the SMILES notation for N'-[3-(cyclopropylcarbamoyl)phenyl]-N-[3-(4-methylpiperidin-1-yl)propyl]oxamide?
The canonical SMILES for N'-[3-(cyclopropylcarbamoyl)phenyl]-N-[3-(4-methylpiperidin-1-yl)propyl]oxamide is CC1CCN(CCCNC(=O)C(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1.
What is the InChIKey of N'-[3-(cyclopropylcarbamoyl)phenyl]-N-[3-(4-methylpiperidin-1-yl)propyl]oxamide?
The InChIKey is GRFJUNCKEXPLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-15-8-12-25(13-9-15)11-3-10-22-20(27)21(28)24-18-5-2-4-16(14-18)19(26)23-17-6-7-17/h2,4-5,14-15,17H,3,6-13H2,1H3,(H,22,27)(H,23,26)(H,24,28).
What are the key properties of N'-[3-(cyclopropylcarbamoyl)phenyl]-N-[3-(4-methylpiperidin-1-yl)propyl]oxamide?
N'-[3-(cyclopropylcarbamoyl)phenyl]-N-[3-(4-methylpiperidin-1-yl)propyl]oxamide has a molecular weight of 386.50 g/mol, XLogP of 1.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(cyclopropylcarbamoyl)phenyl]-N-[3-(4-methylpiperidin-1-yl)propyl]oxamide is sourced from PubChem (CID 86996575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).