1-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]pyrrolidine-3-carboxylic acid

C19H25N3O4 — CID 122000335

IUPAC1-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCc1ccc(C(=O)N2CCC(NC(=O)N3CCC(C(=O)O)C3)CC2)cc1
InChIInChI=1S/C19H25N3O4/c1-13-2-4-14(5-3-13)17(23)21-10-7-16(8-11-21)20-19(26)22-9-6-15(12-22)18(24)25/h2-5,15-16H,6-12H2,1H3,(H,20,26)(H,24,25)
InChIKeyWUYZKDHXFPBVOU-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.72
Rot. Bonds3

About 1-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]pyrrolidine-3-carboxylic acid

1-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122000335) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122000335
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name1-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCc1ccc(C(=O)N2CCC(NC(=O)N3CCC(C(=O)O)C3)CC2)cc1
InChIInChI=1S/C19H25N3O4/c1-13-2-4-14(5-3-13)17(23)21-10-7-16(8-11-21)20-19(26)22-9-6-15(12-22)18(24)25/h2-5,15-16H,6-12H2,1H3,(H,20,26)(H,24,25)
InChIKeyWUYZKDHXFPBVOU-UHFFFAOYSA-N
XLogP1.72
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673425
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 119183945
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820327
2-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119183943
1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-4-carboxylic acid
CID 120512373
[3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 81467156
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
3,4,5-trihydroxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide
CID 108551461
(3S)-1-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136477
(3S)-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid
CID 124703559
4-[[4-(4-chlorobenzoyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122025175

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]pyrrolidine-3-carboxylic acid (CID 122000335) is 1-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]pyrrolidine-3-carboxylic acid is Cc1ccc(C(=O)N2CCC(NC(=O)N3CCC(C(=O)O)C3)CC2)cc1.
What is the InChIKey of 1-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is WUYZKDHXFPBVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-13-2-4-14(5-3-13)17(23)21-10-7-16(8-11-21)20-19(26)22-9-6-15(12-22)18(24)25/h2-5,15-16H,6-12H2,1H3,(H,20,26)(H,24,25).
What are the key properties of 1-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]pyrrolidine-3-carboxylic acid?
1-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 359.43 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122000335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).