3-cyclopentyl-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one

C16H26N2O2 — CID 875996

IUPAC3-cyclopentyl-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H26N2O2/c19-15(8-5-13-3-1-2-4-13)17-9-11-18(12-10-17)16(20)14-6-7-14/h13-14H,1-12H2
InChIKeyVCZOKHHOLALNHK-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.04
Rot. Bonds4

About 3-cyclopentyl-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one

3-cyclopentyl-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one (PubChem CID 875996) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one
PubChem CID875996
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-cyclopentyl-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H26N2O2/c19-15(8-5-13-3-1-2-4-13)17-9-11-18(12-10-17)16(20)14-6-7-14/h13-14H,1-12H2
InChIKeyVCZOKHHOLALNHK-UHFFFAOYSA-N
XLogP2.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one (CID 875996) is 3-cyclopentyl-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one is O=C(CCC1CCCC1)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 3-cyclopentyl-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is VCZOKHHOLALNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c19-15(8-5-13-3-1-2-4-13)17-9-11-18(12-10-17)16(20)14-6-7-14/h13-14H,1-12H2.
What are the key properties of 3-cyclopentyl-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one?
3-cyclopentyl-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 278.40 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 875996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).