N-(1-propylpiperidin-4-yl)-4-thiophen-2-ylbutanamide

C16H26N2OS — CID 51073429

IUPACN-(1-propylpiperidin-4-yl)-4-thiophen-2-ylbutanamide
SMILESCCCN1CCC(NC(=O)CCCc2cccs2)CC1
InChIInChI=1S/C16H26N2OS/c1-2-10-18-11-8-14(9-12-18)17-16(19)7-3-5-15-6-4-13-20-15/h4,6,13-14H,2-3,5,7-12H2,1H3,(H,17,19)
InChIKeyJODJFTPZZDGHHK-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.06
Rot. Bonds7

About N-(1-propylpiperidin-4-yl)-4-thiophen-2-ylbutanamide

N-(1-propylpiperidin-4-yl)-4-thiophen-2-ylbutanamide (PubChem CID 51073429) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is N-(1-propylpiperidin-4-yl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(1-propylpiperidin-4-yl)-4-thiophen-2-ylbutanamide
PubChem CID51073429
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC NameN-(1-propylpiperidin-4-yl)-4-thiophen-2-ylbutanamide
SMILESCCCN1CCC(NC(=O)CCCc2cccs2)CC1
InChIInChI=1S/C16H26N2OS/c1-2-10-18-11-8-14(9-12-18)17-16(19)7-3-5-15-6-4-13-20-15/h4,6,13-14H,2-3,5,7-12H2,1H3,(H,17,19)
InChIKeyJODJFTPZZDGHHK-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-propylpiperidin-4-yl)-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(1-propylpiperidin-4-yl)-4-thiophen-2-ylbutanamide (CID 51073429) is N-(1-propylpiperidin-4-yl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(1-propylpiperidin-4-yl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(1-propylpiperidin-4-yl)-4-thiophen-2-ylbutanamide is CCCN1CCC(NC(=O)CCCc2cccs2)CC1.
What is the InChIKey of N-(1-propylpiperidin-4-yl)-4-thiophen-2-ylbutanamide?
The InChIKey is JODJFTPZZDGHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-2-10-18-11-8-14(9-12-18)17-16(19)7-3-5-15-6-4-13-20-15/h4,6,13-14H,2-3,5,7-12H2,1H3,(H,17,19).
What are the key properties of N-(1-propylpiperidin-4-yl)-4-thiophen-2-ylbutanamide?
N-(1-propylpiperidin-4-yl)-4-thiophen-2-ylbutanamide has a molecular weight of 294.46 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propylpiperidin-4-yl)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 51073429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).