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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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).