4-[2-[[4-(4-methylphenyl)piperidine-1-carbonyl]amino]phenyl]piperazine-1-carboxylic acid

C24H30N4O3 — CID 174225020

IUPAC4-[2-[[4-(4-methylphenyl)piperidine-1-carbonyl]amino]phenyl]piperazine-1-carboxylic acid
SMILESCc1ccc(C2CCN(C(=O)Nc3ccccc3N3CCN(C(=O)O)CC3)CC2)cc1
InChIInChI=1S/C24H30N4O3/c1-18-6-8-19(9-7-18)20-10-12-27(13-11-20)23(29)25-21-4-2-3-5-22(21)26-14-16-28(17-15-26)24(30)31/h2-9,20H,10-17H2,1H3,(H,25,29)(H,30,31)
InChIKeyBTJRYSLOXQGKFQ-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.21
Rot. Bonds3

About 4-[2-[[4-(4-methylphenyl)piperidine-1-carbonyl]amino]phenyl]piperazine-1-carboxylic acid

4-[2-[[4-(4-methylphenyl)piperidine-1-carbonyl]amino]phenyl]piperazine-1-carboxylic acid (PubChem CID 174225020) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 4-[2-[[4-(4-methylphenyl)piperidine-1-carbonyl]amino]phenyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-[[4-(4-methylphenyl)piperidine-1-carbonyl]amino]phenyl]piperazine-1-carboxylic acid
PubChem CID174225020
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name4-[2-[[4-(4-methylphenyl)piperidine-1-carbonyl]amino]phenyl]piperazine-1-carboxylic acid
SMILESCc1ccc(C2CCN(C(=O)Nc3ccccc3N3CCN(C(=O)O)CC3)CC2)cc1
InChIInChI=1S/C24H30N4O3/c1-18-6-8-19(9-7-18)20-10-12-27(13-11-20)23(29)25-21-4-2-3-5-22(21)26-14-16-28(17-15-26)24(30)31/h2-9,20H,10-17H2,1H3,(H,25,29)(H,30,31)
InChIKeyBTJRYSLOXQGKFQ-UHFFFAOYSA-N
XLogP4.21
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]phenyl]-4-(4-methylphenyl)piperidine-1-carboxamide
CID 166141535
4-(2-fluoro-4-methylphenyl)-N-[2-(4-propan-2-ylpiperazin-1-yl)phenyl]piperidine-1-carboxamide
CID 166141515
2-[4-(4-methylphenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82130864
4-(4-methylphenyl)-N-[2-[(2R,5S)-5-propan-2-ylmorpholin-2-yl]phenyl]piperidine-1-carboxamide
CID 166141588
methyl 2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113111137
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-(4-methylphenyl)piperidine-1-carboxamide
CID 58866822
N-(2,4-dimethylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113111461
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide
CID 1258048
2-(4-cyclohexylphenoxy)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]acetamide
CID 17111782
4-(2-aminophenyl)piperazine-1-carboxylic acid
CID 68854737
N-(5-carbamoyl-2-methylphenyl)-3-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 146132314
N-(2-cyanophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111543

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-(4-methylphenyl)piperidine-1-carbonyl]amino]phenyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[2-[[4-(4-methylphenyl)piperidine-1-carbonyl]amino]phenyl]piperazine-1-carboxylic acid (CID 174225020) is 4-[2-[[4-(4-methylphenyl)piperidine-1-carbonyl]amino]phenyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[2-[[4-(4-methylphenyl)piperidine-1-carbonyl]amino]phenyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[2-[[4-(4-methylphenyl)piperidine-1-carbonyl]amino]phenyl]piperazine-1-carboxylic acid is Cc1ccc(C2CCN(C(=O)Nc3ccccc3N3CCN(C(=O)O)CC3)CC2)cc1.
What is the InChIKey of 4-[2-[[4-(4-methylphenyl)piperidine-1-carbonyl]amino]phenyl]piperazine-1-carboxylic acid?
The InChIKey is BTJRYSLOXQGKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-18-6-8-19(9-7-18)20-10-12-27(13-11-20)23(29)25-21-4-2-3-5-22(21)26-14-16-28(17-15-26)24(30)31/h2-9,20H,10-17H2,1H3,(H,25,29)(H,30,31).
What are the key properties of 4-[2-[[4-(4-methylphenyl)piperidine-1-carbonyl]amino]phenyl]piperazine-1-carboxylic acid?
4-[2-[[4-(4-methylphenyl)piperidine-1-carbonyl]amino]phenyl]piperazine-1-carboxylic acid has a molecular weight of 422.53 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-(4-methylphenyl)piperidine-1-carbonyl]amino]phenyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 174225020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).