(2S)-1-(4-propylpiperidine-4-carbonyl)piperidine-2-carboxylic acid

C15H26N2O3 — CID 66264087

IUPAC(2S)-1-(4-propylpiperidine-4-carbonyl)piperidine-2-carboxylic acid
SMILESCCCC1(C(=O)N2CCCC[C@H]2C(=O)O)CCNCC1
InChIInChI=1S/C15H26N2O3/c1-2-6-15(7-9-16-10-8-15)14(20)17-11-4-3-5-12(17)13(18)19/h12,16H,2-11H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyKVEQGVHPSNZEGX-LBPRGKRZSA-N
MW282.38 g/mol
LogP1.62
Rot. Bonds4

About (2S)-1-(4-propylpiperidine-4-carbonyl)piperidine-2-carboxylic acid

(2S)-1-(4-propylpiperidine-4-carbonyl)piperidine-2-carboxylic acid (PubChem CID 66264087) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is (2S)-1-(4-propylpiperidine-4-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(4-propylpiperidine-4-carbonyl)piperidine-2-carboxylic acid
PubChem CID66264087
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(2S)-1-(4-propylpiperidine-4-carbonyl)piperidine-2-carboxylic acid
SMILESCCCC1(C(=O)N2CCCC[C@H]2C(=O)O)CCNCC1
InChIInChI=1S/C15H26N2O3/c1-2-6-15(7-9-16-10-8-15)14(20)17-11-4-3-5-12(17)13(18)19/h12,16H,2-11H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyKVEQGVHPSNZEGX-LBPRGKRZSA-N
XLogP1.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylpiperidine-4-carbonyl)azepane-2-carboxylic acid
CID 64562121
(2R)-1-(4-ethylpiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78925392
(2S)-1-(3-ethylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid
CID 66264088
methyl 1-(4-propylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate
CID 63128449
1-(4-methylpiperidine-4-carbonyl)azepane-2-carboxylic acid
CID 64564458
1-(3-propylpyrrolidine-3-carbonyl)piperidine-2-carboxamide
CID 63140050
(2S)-1-(2-propylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
CID 106975422
1-(2-propylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid
CID 106975316
1-(4-propylpiperidine-4-carbonyl)azetidine-3-carboxylic acid
CID 79310151
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(4-propylpiperidin-4-yl)methanone
CID 63128249
1-(3-propylpiperidine-3-carbonyl)piperidine-2-carboxamide
CID 63131177
1-(3-methylpyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 63141329

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-propylpiperidine-4-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(4-propylpiperidine-4-carbonyl)piperidine-2-carboxylic acid (CID 66264087) is (2S)-1-(4-propylpiperidine-4-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(4-propylpiperidine-4-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(4-propylpiperidine-4-carbonyl)piperidine-2-carboxylic acid is CCCC1(C(=O)N2CCCC[C@H]2C(=O)O)CCNCC1.
What is the InChIKey of (2S)-1-(4-propylpiperidine-4-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is KVEQGVHPSNZEGX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-6-15(7-9-16-10-8-15)14(20)17-11-4-3-5-12(17)13(18)19/h12,16H,2-11H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-1-(4-propylpiperidine-4-carbonyl)piperidine-2-carboxylic acid?
(2S)-1-(4-propylpiperidine-4-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-propylpiperidine-4-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 66264087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).