4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid

C21H22N2O4 — CID 119183945

IUPAC4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
SMILESCc1ccc(C(=O)N2CCC(NC(=O)c3ccc(C(=O)O)cc3)CC2)cc1
InChIInChI=1S/C21H22N2O4/c1-14-2-4-16(5-3-14)20(25)23-12-10-18(11-13-23)22-19(24)15-6-8-17(9-7-15)21(26)27/h2-9,18H,10-13H2,1H3,(H,22,24)(H,26,27)
InChIKeyQRCVSOMUDSWMLX-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.73
Rot. Bonds4

About 4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid

4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid (PubChem CID 119183945) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
PubChem CID119183945
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
SMILESCc1ccc(C(=O)N2CCC(NC(=O)c3ccc(C(=O)O)cc3)CC2)cc1
InChIInChI=1S/C21H22N2O4/c1-14-2-4-16(5-3-14)20(25)23-12-10-18(11-13-23)22-19(24)15-6-8-17(9-7-15)21(26)27/h2-9,18H,10-13H2,1H3,(H,22,24)(H,26,27)
InChIKeyQRCVSOMUDSWMLX-UHFFFAOYSA-N
XLogP2.73
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methylbenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558531
3,4,5-trihydroxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide
CID 108551461
N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
CID 108549483
N-[1-(2-chloroacetyl)piperidin-4-yl]-4-methylbenzamide
CID 108559266
3-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119770082
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673425
4-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]benzamide
CID 108550518
1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-4-carboxylic acid
CID 120512373
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 16613592
N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554659
N-(1-iodopiperidin-4-yl)-4-methylbenzamide
CID 148698295
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid?
The IUPAC name of 4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid (CID 119183945) is 4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid.
What is the SMILES notation for 4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid?
The canonical SMILES for 4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid is Cc1ccc(C(=O)N2CCC(NC(=O)c3ccc(C(=O)O)cc3)CC2)cc1.
What is the InChIKey of 4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid?
The InChIKey is QRCVSOMUDSWMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-14-2-4-16(5-3-14)20(25)23-12-10-18(11-13-23)22-19(24)15-6-8-17(9-7-15)21(26)27/h2-9,18H,10-13H2,1H3,(H,22,24)(H,26,27).
What are the key properties of 4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid?
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid has a molecular weight of 366.42 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid is sourced from PubChem (CID 119183945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).