1-[4-(cyclopropylmethyl)piperazine-1-carbonyl]piperidine-3-carboxylic acid

C15H25N3O3 — CID 61442764

IUPAC1-[4-(cyclopropylmethyl)piperazine-1-carbonyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)N2CCN(CC3CC3)CC2)C1
InChIInChI=1S/C15H25N3O3/c19-14(20)13-2-1-5-18(11-13)15(21)17-8-6-16(7-9-17)10-12-3-4-12/h12-13H,1-11H2,(H,19,20)
InChIKeyLCWQXOVMLHGOQX-UHFFFAOYSA-N
MW295.38 g/mol
LogP0.93
Rot. Bonds3

About 1-[4-(cyclopropylmethyl)piperazine-1-carbonyl]piperidine-3-carboxylic acid

1-[4-(cyclopropylmethyl)piperazine-1-carbonyl]piperidine-3-carboxylic acid (PubChem CID 61442764) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethyl)piperazine-1-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(cyclopropylmethyl)piperazine-1-carbonyl]piperidine-3-carboxylic acid
PubChem CID61442764
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name1-[4-(cyclopropylmethyl)piperazine-1-carbonyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)N2CCN(CC3CC3)CC2)C1
InChIInChI=1S/C15H25N3O3/c19-14(20)13-2-1-5-18(11-13)15(21)17-8-6-16(7-9-17)10-12-3-4-12/h12-13H,1-11H2,(H,19,20)
InChIKeyLCWQXOVMLHGOQX-UHFFFAOYSA-N
XLogP0.93
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[4-(2-hydroxyethyl)piperazine-1-carbonyl]piperidine-3-carboxylic acid
CID 81125571
(3S)-1-(4-aminopiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81125729
1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136251
1-(cyclopropylmethyl)piperidine-3-carboxylic acid;hydrochloride
CID 53393263
(3S)-1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 107228221
1-(4-methylsulfanylpiperazine-1-carbonyl)piperidine-3-carboxylic acid
CID 123306117
1-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidine-3-carboxylic acid
CID 62064175
(3S)-1-(cyclopentylmethyl)piperidine-3-carboxylic acid
CID 51441057
(3R)-1-(3,4-dihydroxypyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 106670650
(3R)-1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)piperidine-3-carboxylic acid
CID 81126775
1-(4-methylazepane-1-carbonyl)piperidine-3-carboxylic acid
CID 63627410
(3S)-1-(3,4-dimethylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81123191

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethyl)piperazine-1-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[4-(cyclopropylmethyl)piperazine-1-carbonyl]piperidine-3-carboxylic acid (CID 61442764) is 1-[4-(cyclopropylmethyl)piperazine-1-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(cyclopropylmethyl)piperazine-1-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(cyclopropylmethyl)piperazine-1-carbonyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)N2CCN(CC3CC3)CC2)C1.
What is the InChIKey of 1-[4-(cyclopropylmethyl)piperazine-1-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is LCWQXOVMLHGOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c19-14(20)13-2-1-5-18(11-13)15(21)17-8-6-16(7-9-17)10-12-3-4-12/h12-13H,1-11H2,(H,19,20).
What are the key properties of 1-[4-(cyclopropylmethyl)piperazine-1-carbonyl]piperidine-3-carboxylic acid?
1-[4-(cyclopropylmethyl)piperazine-1-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 295.38 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethyl)piperazine-1-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 61442764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).