3-[4-[[4-(4-carbamoylpiperidin-4-yl)benzoyl]amino]cyclohexyl]propanoic acid

C22H31N3O4 — CID 67844892

IUPAC3-[4-[[4-(4-carbamoylpiperidin-4-yl)benzoyl]amino]cyclohexyl]propanoic acid
SMILESNC(=O)C1(c2ccc(C(=O)NC3CCC(CCC(=O)O)CC3)cc2)CCNCC1
InChIInChI=1S/C22H31N3O4/c23-21(29)22(11-13-24-14-12-22)17-6-4-16(5-7-17)20(28)25-18-8-1-15(2-9-18)3-10-19(26)27/h4-7,15,18,24H,1-3,8-14H2,(H2,23,29)(H,25,28)(H,26,27)
InChIKeyOFHWARKRMAADRD-UHFFFAOYSA-N
MW401.51 g/mol
LogP1.95
Rot. Bonds7

About 3-[4-[[4-(4-carbamoylpiperidin-4-yl)benzoyl]amino]cyclohexyl]propanoic acid

3-[4-[[4-(4-carbamoylpiperidin-4-yl)benzoyl]amino]cyclohexyl]propanoic acid (PubChem CID 67844892) has the molecular formula C22H31N3O4 and a molecular weight of 401.51 g/mol. Its IUPAC name is 3-[4-[[4-(4-carbamoylpiperidin-4-yl)benzoyl]amino]cyclohexyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[[4-(4-carbamoylpiperidin-4-yl)benzoyl]amino]cyclohexyl]propanoic acid
PubChem CID67844892
Molecular FormulaC22H31N3O4
Molecular Weight401.51 g/mol
Exact Mass401.23
IUPAC Name3-[4-[[4-(4-carbamoylpiperidin-4-yl)benzoyl]amino]cyclohexyl]propanoic acid
SMILESNC(=O)C1(c2ccc(C(=O)NC3CCC(CCC(=O)O)CC3)cc2)CCNCC1
InChIInChI=1S/C22H31N3O4/c23-21(29)22(11-13-24-14-12-22)17-6-4-16(5-7-17)20(28)25-18-8-1-15(2-9-18)3-10-19(26)27/h4-7,15,18,24H,1-3,8-14H2,(H2,23,29)(H,25,28)(H,26,27)
InChIKeyOFHWARKRMAADRD-UHFFFAOYSA-N
XLogP1.95
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-[4-[[4-(4-carbamoylpiperidin-4-yl)benzoyl]amino]cyclohexyl]propanoic acid with MolForge

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Related Compounds

3-[4-[(4-piperazin-1-ylbenzoyl)amino]cyclohexyl]propanoic acid
CID 67844654
4-[(4-propylcyclohexyl)carbamoyl]benzoic acid
CID 61409748
3-[4-[(2-chloro-4-piperidin-4-ylbenzoyl)amino]cyclohexyl]propanoic acid
CID 67844587
propan-2-yl 3-[4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexyl]propanoate
CID 67844937
N-piperidin-4-yl-4-sulfanylbenzamide
CID 107023949
4-(aminomethyl)-N-piperidin-4-ylbenzamide
CID 110463043
3-[3-[(4-propylbenzoyl)amino]cyclobutyl]propanoic acid
CID 166262478
2-amino-3-[4-[(4-piperidin-4-ylbenzoyl)amino]cyclohexyl]propanoic acid
CID 67844674
3-[4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylcarbamoylamino)cyclohexyl]propanoic acid
CID 159519072
4-chloro-N-(4-propylcyclohexyl)benzamide
CID 10612734
N-[4-(cyclopropylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120619359
3-[4-[(4-piperidin-4-ylbenzoyl)amino]piperidin-1-yl]propanoic acid
CID 67844916

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-(4-carbamoylpiperidin-4-yl)benzoyl]amino]cyclohexyl]propanoic acid?
The IUPAC name of 3-[4-[[4-(4-carbamoylpiperidin-4-yl)benzoyl]amino]cyclohexyl]propanoic acid (CID 67844892) is 3-[4-[[4-(4-carbamoylpiperidin-4-yl)benzoyl]amino]cyclohexyl]propanoic acid.
What is the SMILES notation for 3-[4-[[4-(4-carbamoylpiperidin-4-yl)benzoyl]amino]cyclohexyl]propanoic acid?
The canonical SMILES for 3-[4-[[4-(4-carbamoylpiperidin-4-yl)benzoyl]amino]cyclohexyl]propanoic acid is NC(=O)C1(c2ccc(C(=O)NC3CCC(CCC(=O)O)CC3)cc2)CCNCC1.
What is the InChIKey of 3-[4-[[4-(4-carbamoylpiperidin-4-yl)benzoyl]amino]cyclohexyl]propanoic acid?
The InChIKey is OFHWARKRMAADRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4/c23-21(29)22(11-13-24-14-12-22)17-6-4-16(5-7-17)20(28)25-18-8-1-15(2-9-18)3-10-19(26)27/h4-7,15,18,24H,1-3,8-14H2,(H2,23,29)(H,25,28)(H,26,27).
What are the key properties of 3-[4-[[4-(4-carbamoylpiperidin-4-yl)benzoyl]amino]cyclohexyl]propanoic acid?
3-[4-[[4-(4-carbamoylpiperidin-4-yl)benzoyl]amino]cyclohexyl]propanoic acid has a molecular weight of 401.51 g/mol, XLogP of 1.95, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-(4-carbamoylpiperidin-4-yl)benzoyl]amino]cyclohexyl]propanoic acid is sourced from PubChem (CID 67844892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).