1-(piperazine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid

C14H25N3O3 — CID 63136426

IUPAC1-(piperazine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)N2CCNCC2)C1
InChIInChI=1S/C14H25N3O3/c1-2-4-14(12(18)19)5-3-8-17(11-14)13(20)16-9-6-15-7-10-16/h15H,2-11H2,1H3,(H,18,19)
InChIKeyBTZVYFFDOCSMQT-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.98
Rot. Bonds3

About 1-(piperazine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid

1-(piperazine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid (PubChem CID 63136426) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(piperazine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(piperazine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid
PubChem CID63136426
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name1-(piperazine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)N2CCNCC2)C1
InChIInChI=1S/C14H25N3O3/c1-2-4-14(12(18)19)5-3-8-17(11-14)13(20)16-9-6-15-7-10-16/h15H,2-11H2,1H3,(H,18,19)
InChIKeyBTZVYFFDOCSMQT-UHFFFAOYSA-N
XLogP0.98
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-diazepane-1-carbonyl)-3-ethylpiperidine-3-carboxylic acid
CID 63136520
1-(piperidine-4-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138207
1-acetyl-3-propylpiperidine-3-carboxylic acid
CID 63134362
1-(piperidin-4-ylcarbamoyl)-3-propylpiperidine-3-carboxylic acid
CID 63136658
3-propyl-1-(pyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 63137721
1-(3-methylpiperidine-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63137762
3-propyl-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxylic acid
CID 63138206
1-(3-amino-3-methylbutanoyl)-3-propylpiperidine-3-carboxylic acid
CID 64676856
4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 63126397
1-(2-ethylpyrrolidine-2-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 83063296
1-[(2S)-piperidine-2-carbonyl]-3-propylpiperidine-3-carboxylic acid
CID 104913910
(3R)-1-(cyclopentanecarbonyl)-3-propylpiperidine-3-carboxylic acid
CID 95017480

Frequently Asked Questions

What is the IUPAC name of 1-(piperazine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(piperazine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid (CID 63136426) is 1-(piperazine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(piperazine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(piperazine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(C(=O)N2CCNCC2)C1.
What is the InChIKey of 1-(piperazine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid?
The InChIKey is BTZVYFFDOCSMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-2-4-14(12(18)19)5-3-8-17(11-14)13(20)16-9-6-15-7-10-16/h15H,2-11H2,1H3,(H,18,19).
What are the key properties of 1-(piperazine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid?
1-(piperazine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperazine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63136426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).