4-[(4-acetamidobenzoyl)amino]-N-propylpiperidine-1-carboxamide

C18H26N4O3 — CID 110821964

IUPAC4-[(4-acetamidobenzoyl)amino]-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(NC(=O)c2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C18H26N4O3/c1-3-10-19-18(25)22-11-8-16(9-12-22)21-17(24)14-4-6-15(7-5-14)20-13(2)23/h4-7,16H,3,8-12H2,1-2H3,(H,19,25)(H,20,23)(H,21,24)
InChIKeyBJPNKBIAGCSNGN-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.96
Rot. Bonds5

About 4-[(4-acetamidobenzoyl)amino]-N-propylpiperidine-1-carboxamide

4-[(4-acetamidobenzoyl)amino]-N-propylpiperidine-1-carboxamide (PubChem CID 110821964) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[(4-acetamidobenzoyl)amino]-N-propylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-acetamidobenzoyl)amino]-N-propylpiperidine-1-carboxamide
PubChem CID110821964
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name4-[(4-acetamidobenzoyl)amino]-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(NC(=O)c2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C18H26N4O3/c1-3-10-19-18(25)22-11-8-16(9-12-22)21-17(24)14-4-6-15(7-5-14)20-13(2)23/h4-7,16H,3,8-12H2,1-2H3,(H,19,25)(H,20,23)(H,21,24)
InChIKeyBJPNKBIAGCSNGN-UHFFFAOYSA-N
XLogP1.96
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-N-(1-methylpiperidin-4-yl)benzamide
CID 47114509
4-(4-acetamidobenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812235
N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 127165661
4-acetamido-N-cyclooctylbenzamide
CID 2990044
N-[1-(propylcarbamoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 110821957
4-acetamido-N-(4-hydroxycyclohexyl)benzamide
CID 43389222
N-[4-(cyclopentylcarbamoyl)phenyl]pyrrolidine-1-carboxamide
CID 51085603
4-N-cyclopentyl-1-N-propylbenzene-1,4-dicarboxamide
CID 109042876
4-(cyclohexylcarbamoylamino)-N-propylbenzamide
CID 17180771
4-acetamido-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385704
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 127165622

Frequently Asked Questions

What is the IUPAC name of 4-[(4-acetamidobenzoyl)amino]-N-propylpiperidine-1-carboxamide?
The IUPAC name of 4-[(4-acetamidobenzoyl)amino]-N-propylpiperidine-1-carboxamide (CID 110821964) is 4-[(4-acetamidobenzoyl)amino]-N-propylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(4-acetamidobenzoyl)amino]-N-propylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(4-acetamidobenzoyl)amino]-N-propylpiperidine-1-carboxamide is CCCNC(=O)N1CCC(NC(=O)c2ccc(NC(C)=O)cc2)CC1.
What is the InChIKey of 4-[(4-acetamidobenzoyl)amino]-N-propylpiperidine-1-carboxamide?
The InChIKey is BJPNKBIAGCSNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-3-10-19-18(25)22-11-8-16(9-12-22)21-17(24)14-4-6-15(7-5-14)20-13(2)23/h4-7,16H,3,8-12H2,1-2H3,(H,19,25)(H,20,23)(H,21,24).
What are the key properties of 4-[(4-acetamidobenzoyl)amino]-N-propylpiperidine-1-carboxamide?
4-[(4-acetamidobenzoyl)amino]-N-propylpiperidine-1-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetamidobenzoyl)amino]-N-propylpiperidine-1-carboxamide is sourced from PubChem (CID 110821964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).