1,2,2-trimethyl-3-(piperidine-1-carbonyl)cyclopentane-1-carboxylic acid

C15H25NO3 — CID 3151271

IUPAC1,2,2-trimethyl-3-(piperidine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCC(C(=O)N2CCCCC2)C1(C)C
InChIInChI=1S/C15H25NO3/c1-14(2)11(7-8-15(14,3)13(18)19)12(17)16-9-5-4-6-10-16/h11H,4-10H2,1-3H3,(H,18,19)
InChIKeyPIADNPDPQSZWDH-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.53
Rot. Bonds2

About 1,2,2-trimethyl-3-(piperidine-1-carbonyl)cyclopentane-1-carboxylic acid

1,2,2-trimethyl-3-(piperidine-1-carbonyl)cyclopentane-1-carboxylic acid (PubChem CID 3151271) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1,2,2-trimethyl-3-(piperidine-1-carbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1,2,2-trimethyl-3-(piperidine-1-carbonyl)cyclopentane-1-carboxylic acid
PubChem CID3151271
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1,2,2-trimethyl-3-(piperidine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCC(C(=O)N2CCCCC2)C1(C)C
InChIInChI=1S/C15H25NO3/c1-14(2)11(7-8-15(14,3)13(18)19)12(17)16-9-5-4-6-10-16/h11H,4-10H2,1-3H3,(H,18,19)
InChIKeyPIADNPDPQSZWDH-UHFFFAOYSA-N
XLogP2.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,2-Trimethyl-3-(4-methyl-piperazine-1-carbonyl)-cyclopentanecarboxylic acid
CID 3151272
1,2,2-Trimethyl-3-(morpholine-4-carbonyl)-cyclopentanecarboxylic acid
CID 650861
1-[2-[1-(carboxymethyl)cyclopentyl]acetyl]piperidine-4-carboxylic Acid
CID 943458
2-[1-[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid;hydrochloride
CID 16196812
3-(Diethylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 652114
3-Cyclohexylcarbamoyl-1,2,2-trimethyl-cyclopentanecarboxylic acid
CID 2837985
1,2,2-Trimethyl-3-[(4-methyl-1-piperidinyl)carbonyl]cyclopentanecarboxylic acid
CID 3655007
2-[1-[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 1547710
3-(Piperidine-1-carbonyl)cyclopentanecarboxylic acid
CID 91624014
trans-(1S,3R)-3-(cyclohexylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 750960
(3S)-1-(2-cyclopentylacetyl)-3-ethylpiperidine-3-carboxylic acid
CID 95017407
3-[(3R)-1-(1-ethylcyclobutanecarbonyl)piperidin-3-yl]propanoic acid
CID 97338893

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethyl-3-(piperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1,2,2-trimethyl-3-(piperidine-1-carbonyl)cyclopentane-1-carboxylic acid (CID 3151271) is 1,2,2-trimethyl-3-(piperidine-1-carbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1,2,2-trimethyl-3-(piperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1,2,2-trimethyl-3-(piperidine-1-carbonyl)cyclopentane-1-carboxylic acid is CC1(C(=O)O)CCC(C(=O)N2CCCCC2)C1(C)C.
What is the InChIKey of 1,2,2-trimethyl-3-(piperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is PIADNPDPQSZWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-14(2)11(7-8-15(14,3)13(18)19)12(17)16-9-5-4-6-10-16/h11H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 1,2,2-trimethyl-3-(piperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
1,2,2-trimethyl-3-(piperidine-1-carbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethyl-3-(piperidine-1-carbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 3151271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).