3-piperidin-3-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide

C17H26N2O2 — CID 81048858

IUPAC3-piperidin-3-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide
SMILESCC(CC(=O)NC1CCCc2occc21)C1CCCNC1
InChIInChI=1S/C17H26N2O2/c1-12(13-4-3-8-18-11-13)10-17(20)19-15-5-2-6-16-14(15)7-9-21-16/h7,9,12-13,15,18H,2-6,8,10-11H2,1H3,(H,19,20)
InChIKeyBTBVLRLVKPXSBA-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.80
Rot. Bonds4

About 3-piperidin-3-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide

3-piperidin-3-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide (PubChem CID 81048858) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-piperidin-3-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide.

Molecular Properties

Compound Name3-piperidin-3-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide
PubChem CID81048858
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-piperidin-3-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide
SMILESCC(CC(=O)NC1CCCc2occc21)C1CCCNC1
InChIInChI=1S/C17H26N2O2/c1-12(13-4-3-8-18-11-13)10-17(20)19-15-5-2-6-16-14(15)7-9-21-16/h7,9,12-13,15,18H,2-6,8,10-11H2,1H3,(H,19,20)
InChIKeyBTBVLRLVKPXSBA-UHFFFAOYSA-N
XLogP2.80
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide
CID 81047550
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119745334
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-3-ylbutanamide
CID 119695812
2-(butan-2-ylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 61273578
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119695811
N-(4-methylcyclohexyl)-3-piperidin-3-ylbutanamide
CID 81044327
N-(4-hydroxycyclohexyl)-3-piperidin-3-ylbutanamide
CID 81043560
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119700552
N-(oxan-3-yl)-3-piperidin-3-ylbutanamide
CID 81043949
3-piperidin-3-ylbutanoic acid
CID 71691534
(3S)-3-[(3S)-piperidin-3-yl]butanoic acid
CID 95732451
N-(1,1-dioxothian-4-yl)-3-piperidin-3-ylbutanamide
CID 81044428

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide?
The IUPAC name of 3-piperidin-3-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide (CID 81048858) is 3-piperidin-3-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide.
What is the SMILES notation for 3-piperidin-3-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide?
The canonical SMILES for 3-piperidin-3-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide is CC(CC(=O)NC1CCCc2occc21)C1CCCNC1.
What is the InChIKey of 3-piperidin-3-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide?
The InChIKey is BTBVLRLVKPXSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(13-4-3-8-18-11-13)10-17(20)19-15-5-2-6-16-14(15)7-9-21-16/h7,9,12-13,15,18H,2-6,8,10-11H2,1H3,(H,19,20).
What are the key properties of 3-piperidin-3-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide?
3-piperidin-3-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide has a molecular weight of 290.41 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide is sourced from PubChem (CID 81048858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).