1-[(4-aminopiperidine-1-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid

C14H25N3O3 — CID 61403065

IUPAC1-[(4-aminopiperidine-1-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)N2CCC(N)CC2)(C(=O)O)CC1
InChIInChI=1S/C14H25N3O3/c1-10-2-6-14(7-3-10,12(18)19)16-13(20)17-8-4-11(15)5-9-17/h10-11H,2-9,15H2,1H3,(H,16,20)(H,18,19)
InChIKeyCQSPDHBJJUUHSY-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.15
Rot. Bonds2

About 1-[(4-aminopiperidine-1-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid

1-[(4-aminopiperidine-1-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid (PubChem CID 61403065) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[(4-aminopiperidine-1-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-aminopiperidine-1-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
PubChem CID61403065
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-[(4-aminopiperidine-1-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)N2CCC(N)CC2)(C(=O)O)CC1
InChIInChI=1S/C14H25N3O3/c1-10-2-6-14(7-3-10,12(18)19)16-13(20)17-8-4-11(15)5-9-17/h10-11H,2-9,15H2,1H3,(H,16,20)(H,18,19)
InChIKeyCQSPDHBJJUUHSY-UHFFFAOYSA-N
XLogP1.15
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-aminopiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 61403018
4-methyl-1-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 61186956
1-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 64598227
1-[(3,5-dioxopiperazine-1-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 66061246
4-[(4-methylazepane-1-carbonyl)amino]oxane-4-carboxylic acid
CID 115293181
1-[(3-methylpyrrolidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 61225245
1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61190558
1-[(4-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 11608918
4-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid
CID 115293203
1-[(4-methylsulfanylazepane-1-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 114237959
2-[1-[(4-aminopiperidine-1-carbonyl)amino]cyclopentyl]acetic acid
CID 64701838
1-(cyclopentanecarbonylamino)-4-methylcyclohexane-1-carboxylic acid
CID 43341471

Frequently Asked Questions

What is the IUPAC name of 1-[(4-aminopiperidine-1-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(4-aminopiperidine-1-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid (CID 61403065) is 1-[(4-aminopiperidine-1-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-aminopiperidine-1-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(4-aminopiperidine-1-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid is CC1CCC(NC(=O)N2CCC(N)CC2)(C(=O)O)CC1.
What is the InChIKey of 1-[(4-aminopiperidine-1-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is CQSPDHBJJUUHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-10-2-6-14(7-3-10,12(18)19)16-13(20)17-8-4-11(15)5-9-17/h10-11H,2-9,15H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 1-[(4-aminopiperidine-1-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid?
1-[(4-aminopiperidine-1-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-aminopiperidine-1-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 61403065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).