(1-propylpiperidin-4-yl) 3-(4-propan-2-ylpiperazin-1-yl)propanoate

C18H35N3O2 — CID 70927205

IUPAC(1-propylpiperidin-4-yl) 3-(4-propan-2-ylpiperazin-1-yl)propanoate
SMILESCCCN1CCC(OC(=O)CCN2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C18H35N3O2/c1-4-8-19-9-5-17(6-10-19)23-18(22)7-11-20-12-14-21(15-13-20)16(2)3/h16-17H,4-15H2,1-3H3
InChIKeySAMJAVDVEGKXJC-UHFFFAOYSA-N
MW325.50 g/mol
LogP1.82
Rot. Bonds7

About (1-propylpiperidin-4-yl) 3-(4-propan-2-ylpiperazin-1-yl)propanoate

(1-propylpiperidin-4-yl) 3-(4-propan-2-ylpiperazin-1-yl)propanoate (PubChem CID 70927205) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is (1-propylpiperidin-4-yl) 3-(4-propan-2-ylpiperazin-1-yl)propanoate.

Molecular Properties

Compound Name(1-propylpiperidin-4-yl) 3-(4-propan-2-ylpiperazin-1-yl)propanoate
PubChem CID70927205
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Name(1-propylpiperidin-4-yl) 3-(4-propan-2-ylpiperazin-1-yl)propanoate
SMILESCCCN1CCC(OC(=O)CCN2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C18H35N3O2/c1-4-8-19-9-5-17(6-10-19)23-18(22)7-11-20-12-14-21(15-13-20)16(2)3/h16-17H,4-15H2,1-3H3
InChIKeySAMJAVDVEGKXJC-UHFFFAOYSA-N
XLogP1.82
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-propylpiperidin-4-yl) 3-(4-propan-2-ylpiperazin-1-yl)propanoate?
The IUPAC name of (1-propylpiperidin-4-yl) 3-(4-propan-2-ylpiperazin-1-yl)propanoate (CID 70927205) is (1-propylpiperidin-4-yl) 3-(4-propan-2-ylpiperazin-1-yl)propanoate.
What is the SMILES notation for (1-propylpiperidin-4-yl) 3-(4-propan-2-ylpiperazin-1-yl)propanoate?
The canonical SMILES for (1-propylpiperidin-4-yl) 3-(4-propan-2-ylpiperazin-1-yl)propanoate is CCCN1CCC(OC(=O)CCN2CCN(C(C)C)CC2)CC1.
What is the InChIKey of (1-propylpiperidin-4-yl) 3-(4-propan-2-ylpiperazin-1-yl)propanoate?
The InChIKey is SAMJAVDVEGKXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-4-8-19-9-5-17(6-10-19)23-18(22)7-11-20-12-14-21(15-13-20)16(2)3/h16-17H,4-15H2,1-3H3.
What are the key properties of (1-propylpiperidin-4-yl) 3-(4-propan-2-ylpiperazin-1-yl)propanoate?
(1-propylpiperidin-4-yl) 3-(4-propan-2-ylpiperazin-1-yl)propanoate has a molecular weight of 325.50 g/mol, XLogP of 1.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylpiperidin-4-yl) 3-(4-propan-2-ylpiperazin-1-yl)propanoate is sourced from PubChem (CID 70927205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).