1-[methyl-[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclohexane-1-carboxylic acid

C20H35N3O4 — CID 120539836

IUPAC1-[methyl-[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)CNC(=O)N1CCCC(CC(=O)N(C)C2(C(=O)O)CCCCC2)C1
InChIInChI=1S/C20H35N3O4/c1-15(2)13-21-19(27)23-11-7-8-16(14-23)12-17(24)22(3)20(18(25)26)9-5-4-6-10-20/h15-16H,4-14H2,1-3H3,(H,21,27)(H,25,26)
InChIKeyUGKPJRNWXJKEEY-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.70
Rot. Bonds6

About 1-[methyl-[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclohexane-1-carboxylic acid

1-[methyl-[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 120539836) has the molecular formula C20H35N3O4 and a molecular weight of 381.52 g/mol. Its IUPAC name is 1-[methyl-[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[methyl-[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID120539836
Molecular FormulaC20H35N3O4
Molecular Weight381.52 g/mol
Exact Mass381.26
IUPAC Name1-[methyl-[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)CNC(=O)N1CCCC(CC(=O)N(C)C2(C(=O)O)CCCCC2)C1
InChIInChI=1S/C20H35N3O4/c1-15(2)13-21-19(27)23-11-7-8-16(14-23)12-17(24)22(3)20(18(25)26)9-5-4-6-10-20/h15-16H,4-14H2,1-3H3,(H,21,27)(H,25,26)
InChIKeyUGKPJRNWXJKEEY-UHFFFAOYSA-N
XLogP2.70
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[methyl-[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

2-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]-propan-2-ylamino]acetic acid
CID 119198157
3-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 119444654
2-[1-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclobutyl]acetic acid
CID 119217371
(3S,4S)-4-methyl-1-[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 120952869
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
CID 119418872
3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 120507437
3-[(2-methylpropanoylamino)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 71840428
(2S)-2-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]hexanoic acid
CID 120615595
3-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
CID 119482486
2-[methyl-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119208888
3-methyl-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119256418

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[methyl-[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclohexane-1-carboxylic acid (CID 120539836) is 1-[methyl-[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[methyl-[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[methyl-[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclohexane-1-carboxylic acid is CC(C)CNC(=O)N1CCCC(CC(=O)N(C)C2(C(=O)O)CCCCC2)C1.
What is the InChIKey of 1-[methyl-[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is UGKPJRNWXJKEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O4/c1-15(2)13-21-19(27)23-11-7-8-16(14-23)12-17(24)22(3)20(18(25)26)9-5-4-6-10-20/h15-16H,4-14H2,1-3H3,(H,21,27)(H,25,26).
What are the key properties of 1-[methyl-[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclohexane-1-carboxylic acid?
1-[methyl-[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 381.52 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120539836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).