(1-butyl-4-pyridin-3-ylpiperidin-4-yl) propanoate

C17H26N2O2 — CID 3048607

IUPAC(1-butyl-4-pyridin-3-ylpiperidin-4-yl) propanoate
SMILESCCCCN1CCC(OC(=O)CC)(c2cccnc2)CC1
InChIInChI=1S/C17H26N2O2/c1-3-5-11-19-12-8-17(9-13-19,21-16(20)4-2)15-7-6-10-18-14-15/h6-7,10,14H,3-5,8-9,11-13H2,1-2H3
InChIKeyNMRKRLVYDHZWTB-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.13
Rot. Bonds6

About (1-butyl-4-pyridin-3-ylpiperidin-4-yl) propanoate

(1-butyl-4-pyridin-3-ylpiperidin-4-yl) propanoate (PubChem CID 3048607) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (1-butyl-4-pyridin-3-ylpiperidin-4-yl) propanoate.

Molecular Properties

Compound Name(1-butyl-4-pyridin-3-ylpiperidin-4-yl) propanoate
PubChem CID3048607
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(1-butyl-4-pyridin-3-ylpiperidin-4-yl) propanoate
SMILESCCCCN1CCC(OC(=O)CC)(c2cccnc2)CC1
InChIInChI=1S/C17H26N2O2/c1-3-5-11-19-12-8-17(9-13-19,21-16(20)4-2)15-7-6-10-18-14-15/h6-7,10,14H,3-5,8-9,11-13H2,1-2H3
InChIKeyNMRKRLVYDHZWTB-UHFFFAOYSA-N
XLogP3.13
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-butyl-4-pyridin-3-ylpiperidin-4-yl) propanoate?
The IUPAC name of (1-butyl-4-pyridin-3-ylpiperidin-4-yl) propanoate (CID 3048607) is (1-butyl-4-pyridin-3-ylpiperidin-4-yl) propanoate.
What is the SMILES notation for (1-butyl-4-pyridin-3-ylpiperidin-4-yl) propanoate?
The canonical SMILES for (1-butyl-4-pyridin-3-ylpiperidin-4-yl) propanoate is CCCCN1CCC(OC(=O)CC)(c2cccnc2)CC1.
What is the InChIKey of (1-butyl-4-pyridin-3-ylpiperidin-4-yl) propanoate?
The InChIKey is NMRKRLVYDHZWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-5-11-19-12-8-17(9-13-19,21-16(20)4-2)15-7-6-10-18-14-15/h6-7,10,14H,3-5,8-9,11-13H2,1-2H3.
What are the key properties of (1-butyl-4-pyridin-3-ylpiperidin-4-yl) propanoate?
(1-butyl-4-pyridin-3-ylpiperidin-4-yl) propanoate has a molecular weight of 290.41 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyl-4-pyridin-3-ylpiperidin-4-yl) propanoate is sourced from PubChem (CID 3048607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).