1-[2-[cycloheptyl(methyl)amino]acetyl]piperidine-4-carboxylic acid

C16H28N2O3 — CID 62657437

IUPAC1-[2-[cycloheptyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
SMILESCN(CC(=O)N1CCC(C(=O)O)CC1)C1CCCCCC1
InChIInChI=1S/C16H28N2O3/c1-17(14-6-4-2-3-5-7-14)12-15(19)18-10-8-13(9-11-18)16(20)21/h13-14H,2-12H2,1H3,(H,20,21)
InChIKeyVKOUZTLGKQJRNH-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.96
Rot. Bonds4

About 1-[2-[cycloheptyl(methyl)amino]acetyl]piperidine-4-carboxylic acid

1-[2-[cycloheptyl(methyl)amino]acetyl]piperidine-4-carboxylic acid (PubChem CID 62657437) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[2-[cycloheptyl(methyl)amino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[cycloheptyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
PubChem CID62657437
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[2-[cycloheptyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
SMILESCN(CC(=O)N1CCC(C(=O)O)CC1)C1CCCCCC1
InChIInChI=1S/C16H28N2O3/c1-17(14-6-4-2-3-5-7-14)12-15(19)18-10-8-13(9-11-18)16(20)21/h13-14H,2-12H2,1H3,(H,20,21)
InChIKeyVKOUZTLGKQJRNH-UHFFFAOYSA-N
XLogP1.96
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[carboxymethyl(cyclohexyl)amino]acetyl]piperidine-4-carboxylic acid
CID 122508236
2-[methyl-(1-methylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone
CID 175826777
1-[2-[cyclohexyl(methyl)amino]acetyl]piperidin-4-one
CID 43229388
1-(azocan-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone
CID 43607197
2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone
CID 104979550
2-[(4-hydroxycyclohexyl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 114762459
3,3-dimethyl-1-[4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]piperidin-1-yl]butan-1-one
CID 140912225
2-[methyl(piperidin-4-yl)amino]-1-piperidin-1-ylethanone;hydrochloride
CID 119913231
1-[2-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236385
1-[2-[(2-amino-2-oxoethyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 62658956
1-[2-[[(2S)-3-cyclohexyl-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 97324533
2-[[4-(ethylamino)cyclohexyl]-methylamino]-1-piperidin-1-ylethanone
CID 79123117

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cycloheptyl(methyl)amino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[cycloheptyl(methyl)amino]acetyl]piperidine-4-carboxylic acid (CID 62657437) is 1-[2-[cycloheptyl(methyl)amino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[cycloheptyl(methyl)amino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[cycloheptyl(methyl)amino]acetyl]piperidine-4-carboxylic acid is CN(CC(=O)N1CCC(C(=O)O)CC1)C1CCCCCC1.
What is the InChIKey of 1-[2-[cycloheptyl(methyl)amino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is VKOUZTLGKQJRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-17(14-6-4-2-3-5-7-14)12-15(19)18-10-8-13(9-11-18)16(20)21/h13-14H,2-12H2,1H3,(H,20,21).
What are the key properties of 1-[2-[cycloheptyl(methyl)amino]acetyl]piperidine-4-carboxylic acid?
1-[2-[cycloheptyl(methyl)amino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cycloheptyl(methyl)amino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 62657437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).