1-cyclopentyl-5-[1-(cyclopropylmethyl)-2,3,4-trimethylpiperidin-3-yl]pentan-3-one

C22H39NO — CID 19099560

IUPAC1-cyclopentyl-5-[1-(cyclopropylmethyl)-2,3,4-trimethylpiperidin-3-yl]pentan-3-one
SMILESCC1CCN(CC2CC2)C(C)C1(C)CCC(=O)CCC1CCCC1
InChIInChI=1S/C22H39NO/c1-17-13-15-23(16-20-8-9-20)18(2)22(17,3)14-12-21(24)11-10-19-6-4-5-7-19/h17-20H,4-16H2,1-3H3
InChIKeyDKLUVXQRLFZQMA-UHFFFAOYSA-N
MW333.56 g/mol
LogP5.45
Rot. Bonds8

About 1-cyclopentyl-5-[1-(cyclopropylmethyl)-2,3,4-trimethylpiperidin-3-yl]pentan-3-one

1-cyclopentyl-5-[1-(cyclopropylmethyl)-2,3,4-trimethylpiperidin-3-yl]pentan-3-one (PubChem CID 19099560) has the molecular formula C22H39NO and a molecular weight of 333.56 g/mol. Its IUPAC name is 1-cyclopentyl-5-[1-(cyclopropylmethyl)-2,3,4-trimethylpiperidin-3-yl]pentan-3-one.

Molecular Properties

Compound Name1-cyclopentyl-5-[1-(cyclopropylmethyl)-2,3,4-trimethylpiperidin-3-yl]pentan-3-one
PubChem CID19099560
Molecular FormulaC22H39NO
Molecular Weight333.56 g/mol
Exact Mass333.30
IUPAC Name1-cyclopentyl-5-[1-(cyclopropylmethyl)-2,3,4-trimethylpiperidin-3-yl]pentan-3-one
SMILESCC1CCN(CC2CC2)C(C)C1(C)CCC(=O)CCC1CCCC1
InChIInChI=1S/C22H39NO/c1-17-13-15-23(16-20-8-9-20)18(2)22(17,3)14-12-21(24)11-10-19-6-4-5-7-19/h17-20H,4-16H2,1-3H3
InChIKeyDKLUVXQRLFZQMA-UHFFFAOYSA-N
XLogP5.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.56
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-[1-(cyclopropylmethyl)-2,3,4-trimethylpiperidin-3-yl]pentan-3-one?
The IUPAC name of 1-cyclopentyl-5-[1-(cyclopropylmethyl)-2,3,4-trimethylpiperidin-3-yl]pentan-3-one (CID 19099560) is 1-cyclopentyl-5-[1-(cyclopropylmethyl)-2,3,4-trimethylpiperidin-3-yl]pentan-3-one.
What is the SMILES notation for 1-cyclopentyl-5-[1-(cyclopropylmethyl)-2,3,4-trimethylpiperidin-3-yl]pentan-3-one?
The canonical SMILES for 1-cyclopentyl-5-[1-(cyclopropylmethyl)-2,3,4-trimethylpiperidin-3-yl]pentan-3-one is CC1CCN(CC2CC2)C(C)C1(C)CCC(=O)CCC1CCCC1.
What is the InChIKey of 1-cyclopentyl-5-[1-(cyclopropylmethyl)-2,3,4-trimethylpiperidin-3-yl]pentan-3-one?
The InChIKey is DKLUVXQRLFZQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO/c1-17-13-15-23(16-20-8-9-20)18(2)22(17,3)14-12-21(24)11-10-19-6-4-5-7-19/h17-20H,4-16H2,1-3H3.
What are the key properties of 1-cyclopentyl-5-[1-(cyclopropylmethyl)-2,3,4-trimethylpiperidin-3-yl]pentan-3-one?
1-cyclopentyl-5-[1-(cyclopropylmethyl)-2,3,4-trimethylpiperidin-3-yl]pentan-3-one has a molecular weight of 333.56 g/mol, XLogP of 5.45, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-[1-(cyclopropylmethyl)-2,3,4-trimethylpiperidin-3-yl]pentan-3-one is sourced from PubChem (CID 19099560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).