2-[4-(cyclopropylmethyl)piperazin-1-yl]cyclopentane-1-carboxylic acid

C14H24N2O2 — CID 55146326

IUPAC2-[4-(cyclopropylmethyl)piperazin-1-yl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1N1CCN(CC2CC2)CC1
InChIInChI=1S/C14H24N2O2/c17-14(18)12-2-1-3-13(12)16-8-6-15(7-9-16)10-11-4-5-11/h11-13H,1-10H2,(H,17,18)
InChIKeyTWGSOWUKHDXWQJ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.27
Rot. Bonds4

About 2-[4-(cyclopropylmethyl)piperazin-1-yl]cyclopentane-1-carboxylic acid

2-[4-(cyclopropylmethyl)piperazin-1-yl]cyclopentane-1-carboxylic acid (PubChem CID 55146326) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethyl)piperazin-1-yl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-(cyclopropylmethyl)piperazin-1-yl]cyclopentane-1-carboxylic acid
PubChem CID55146326
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-[4-(cyclopropylmethyl)piperazin-1-yl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1N1CCN(CC2CC2)CC1
InChIInChI=1S/C14H24N2O2/c17-14(18)12-2-1-3-13(12)16-8-6-15(7-9-16)10-11-4-5-11/h11-13H,1-10H2,(H,17,18)
InChIKeyTWGSOWUKHDXWQJ-UHFFFAOYSA-N
XLogP1.27
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethyl)piperazin-1-yl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[4-(cyclopropylmethyl)piperazin-1-yl]cyclopentane-1-carboxylic acid (CID 55146326) is 2-[4-(cyclopropylmethyl)piperazin-1-yl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[4-(cyclopropylmethyl)piperazin-1-yl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[4-(cyclopropylmethyl)piperazin-1-yl]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1N1CCN(CC2CC2)CC1.
What is the InChIKey of 2-[4-(cyclopropylmethyl)piperazin-1-yl]cyclopentane-1-carboxylic acid?
The InChIKey is TWGSOWUKHDXWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c17-14(18)12-2-1-3-13(12)16-8-6-15(7-9-16)10-11-4-5-11/h11-13H,1-10H2,(H,17,18).
What are the key properties of 2-[4-(cyclopropylmethyl)piperazin-1-yl]cyclopentane-1-carboxylic acid?
2-[4-(cyclopropylmethyl)piperazin-1-yl]cyclopentane-1-carboxylic acid has a molecular weight of 252.36 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethyl)piperazin-1-yl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 55146326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).