1-(1-acetylpiperidin-4-yl)-3-cyclopentyl-1-propan-2-ylurea

C16H29N3O2 — CID 22510704

IUPAC1-(1-acetylpiperidin-4-yl)-3-cyclopentyl-1-propan-2-ylurea
SMILESCC(=O)N1CCC(N(C(=O)NC2CCCC2)C(C)C)CC1
InChIInChI=1S/C16H29N3O2/c1-12(2)19(16(21)17-14-6-4-5-7-14)15-8-10-18(11-9-15)13(3)20/h12,14-15H,4-11H2,1-3H3,(H,17,21)
InChIKeyUEZBFFIYKDYIRM-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.36
Rot. Bonds3

About 1-(1-acetylpiperidin-4-yl)-3-cyclopentyl-1-propan-2-ylurea

1-(1-acetylpiperidin-4-yl)-3-cyclopentyl-1-propan-2-ylurea (PubChem CID 22510704) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-cyclopentyl-1-propan-2-ylurea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-cyclopentyl-1-propan-2-ylurea
PubChem CID22510704
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-cyclopentyl-1-propan-2-ylurea
SMILESCC(=O)N1CCC(N(C(=O)NC2CCCC2)C(C)C)CC1
InChIInChI=1S/C16H29N3O2/c1-12(2)19(16(21)17-14-6-4-5-7-14)15-8-10-18(11-9-15)13(3)20/h12,14-15H,4-11H2,1-3H3,(H,17,21)
InChIKeyUEZBFFIYKDYIRM-UHFFFAOYSA-N
XLogP2.36
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-cyclopentyl-1-propan-2-ylurea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-cyclopentyl-1-propan-2-ylurea (CID 22510704) is 1-(1-acetylpiperidin-4-yl)-3-cyclopentyl-1-propan-2-ylurea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-cyclopentyl-1-propan-2-ylurea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-cyclopentyl-1-propan-2-ylurea is CC(=O)N1CCC(N(C(=O)NC2CCCC2)C(C)C)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-cyclopentyl-1-propan-2-ylurea?
The InChIKey is UEZBFFIYKDYIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-12(2)19(16(21)17-14-6-4-5-7-14)15-8-10-18(11-9-15)13(3)20/h12,14-15H,4-11H2,1-3H3,(H,17,21).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-cyclopentyl-1-propan-2-ylurea?
1-(1-acetylpiperidin-4-yl)-3-cyclopentyl-1-propan-2-ylurea has a molecular weight of 295.43 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-cyclopentyl-1-propan-2-ylurea is sourced from PubChem (CID 22510704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).