4-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid

C21H29N3O4 — CID 122077257

IUPAC4-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCC1CCN(C(=O)c2ccccc2NC(=O)NC2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C21H29N3O4/c1-14-10-12-24(13-11-14)19(25)17-4-2-3-5-18(17)23-21(28)22-16-8-6-15(7-9-16)20(26)27/h2-5,14-16H,6-13H2,1H3,(H,26,27)(H2,22,23,28)
InChIKeyDSRMDDRXEQRSCW-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.32
Rot. Bonds4

About 4-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid

4-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122077257) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122077257
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name4-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCC1CCN(C(=O)c2ccccc2NC(=O)NC2CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C21H29N3O4/c1-14-10-12-24(13-11-14)19(25)17-4-2-3-5-18(17)23-21(28)22-16-8-6-15(7-9-16)20(26)27/h2-5,14-16H,6-13H2,1H3,(H,26,27)(H2,22,23,28)
InChIKeyDSRMDDRXEQRSCW-UHFFFAOYSA-N
XLogP3.32
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-methyl-3-(morpholine-4-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122077590
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-2,2-diphenylacetamide
CID 4939344
1-cyclohexyl-3-[2-(4-methylpiperazine-1-carbonyl)phenyl]urea
CID 4943688
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 4939416
[2-(4-methylpiperidine-1-carbonyl)phenyl]thiourea
CID 169356775
2-[2-(4-methylpiperidine-1-carbonyl)anilino]ethene-1,1,2-tricarbonitrile
CID 168607156
N-[2-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]phenyl]benzamide
CID 46446186
4-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 566959
3-(2-chlorophenyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]propanamide
CID 17179018
2-[(3-methylcyclobutyl)carbamoylamino]benzoic acid
CID 113467363
2-[4-(phenylcarbamoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083323
(2S)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 96532804

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid (CID 122077257) is 4-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid is CC1CCN(C(=O)c2ccccc2NC(=O)NC2CCC(C(=O)O)CC2)CC1.
What is the InChIKey of 4-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is DSRMDDRXEQRSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-14-10-12-24(13-11-14)19(25)17-4-2-3-5-18(17)23-21(28)22-16-8-6-15(7-9-16)20(26)27/h2-5,14-16H,6-13H2,1H3,(H,26,27)(H2,22,23,28).
What are the key properties of 4-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid?
4-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 387.48 g/mol, XLogP of 3.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122077257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).