1-(4-benzylpiperidin-1-yl)-2-thiophen-2-ylethanone

C18H21NOS — CID 669874

IUPAC1-(4-benzylpiperidin-1-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H21NOS/c20-18(14-17-7-4-12-21-17)19-10-8-16(9-11-19)13-15-5-2-1-3-6-15/h1-7,12,16H,8-11,13-14H2
InChIKeyVTVHFCONMFSZDV-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.77
Rot. Bonds4

About 1-(4-benzylpiperidin-1-yl)-2-thiophen-2-ylethanone

1-(4-benzylpiperidin-1-yl)-2-thiophen-2-ylethanone (PubChem CID 669874) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-thiophen-2-ylethanone
PubChem CID669874
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H21NOS/c20-18(14-17-7-4-12-21-17)19-10-8-16(9-11-19)13-15-5-2-1-3-6-15/h1-7,12,16H,8-11,13-14H2
InChIKeyVTVHFCONMFSZDV-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 2740735
N-[2-(4-fluorophenyl)ethyl]-2-(thiophen-2-yl)acetamide
CID 808451
N-(3-phenylpropyl)-2-thiophen-2-ylacetamide
CID 2299844
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-thiophen-2-ylmethanone
CID 2567966
N-(4-phenylbutan-2-yl)-2-(thiophen-2-yl)acetamide
CID 2914787
4-Benzylpiperazinyl 2-thienyl ketone
CID 757483
N,N-diethyl-2-phenyl-2-(phenylsulfanyl)acetamide
CID 2889554
N-methyl-N-(2-thiophen-2-ylethyl)adamantane-1-carboxamide
CID 57576970
N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 67512015
N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
CID 71449606
3-phenyl-N-(2-thiophen-2-ylethyl)propanamide
CID 1508403
2,2-diphenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 1508404

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-thiophen-2-ylethanone (CID 669874) is 1-(4-benzylpiperidin-1-yl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-thiophen-2-ylethanone?
The InChIKey is VTVHFCONMFSZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c20-18(14-17-7-4-12-21-17)19-10-8-16(9-11-19)13-15-5-2-1-3-6-15/h1-7,12,16H,8-11,13-14H2.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-thiophen-2-ylethanone?
1-(4-benzylpiperidin-1-yl)-2-thiophen-2-ylethanone has a molecular weight of 299.44 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 669874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).