2-[1-[4-(1-benzothiophen-3-yl)butanoyl]piperidin-4-yl]acetamide

C19H24N2O2S — CID 126790115

IUPAC2-[1-[4-(1-benzothiophen-3-yl)butanoyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(C(=O)CCCc2csc3ccccc23)CC1
InChIInChI=1S/C19H24N2O2S/c20-18(22)12-14-8-10-21(11-9-14)19(23)7-3-4-15-13-24-17-6-2-1-5-16(15)17/h1-2,5-6,13-14H,3-4,7-12H2,(H2,20,22)
InChIKeyWGCRVPRPOJZTGD-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.34
Rot. Bonds6

About 2-[1-[4-(1-benzothiophen-3-yl)butanoyl]piperidin-4-yl]acetamide

2-[1-[4-(1-benzothiophen-3-yl)butanoyl]piperidin-4-yl]acetamide (PubChem CID 126790115) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-[1-[4-(1-benzothiophen-3-yl)butanoyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[4-(1-benzothiophen-3-yl)butanoyl]piperidin-4-yl]acetamide
PubChem CID126790115
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name2-[1-[4-(1-benzothiophen-3-yl)butanoyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(C(=O)CCCc2csc3ccccc23)CC1
InChIInChI=1S/C19H24N2O2S/c20-18(22)12-14-8-10-21(11-9-14)19(23)7-3-4-15-13-24-17-6-2-1-5-16(15)17/h1-2,5-6,13-14H,3-4,7-12H2,(H2,20,22)
InChIKeyWGCRVPRPOJZTGD-UHFFFAOYSA-N
XLogP3.34
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-benzothiophen-3-yl)butanoyl]piperidine-4-carboxamide
CID 119159265
1-[(3R)-3-aminopyrrolidin-1-yl]-4-(1-benzothiophen-3-yl)butan-1-one
CID 119412480
4-(1-benzothiophen-3-yl)-1-(1,4-diazepan-1-yl)butan-1-one;hydrochloride
CID 119417625
4-(1-benzothiophen-3-yl)-1-[3-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
CID 119492353
4-(1-benzothiophen-3-yl)-1-(2,9-dioxa-6-azaspiro[4.5]decan-6-yl)butan-1-one
CID 126812463
(3aS,7aS)-2-[4-(1-benzothiophen-3-yl)butanoyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120628897
N-[2-(aminomethyl)cyclopentyl]-4-(1-benzothiophen-3-yl)butanamide;hydrochloride
CID 119604150
1-[4-[(2S,4S)-4-aminooxan-2-yl]piperidin-1-yl]-2-(1-benzothiophen-3-yl)ethanone
CID 129347257
4-(1-benzothiophen-3-yl)-1-[2-[5-(hydroxymethyl)-1H-1,2,4-triazol-3-yl]morpholin-4-yl]butan-1-one
CID 167919268
4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 54876368
2-[1-[4-(3-methylphenoxy)butanoyl]piperidin-4-yl]acetamide
CID 56813577
4-(1-benzothiophen-3-yl)-1-cyclopropylbutan-1-amine
CID 64505583

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(1-benzothiophen-3-yl)butanoyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[4-(1-benzothiophen-3-yl)butanoyl]piperidin-4-yl]acetamide (CID 126790115) is 2-[1-[4-(1-benzothiophen-3-yl)butanoyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[4-(1-benzothiophen-3-yl)butanoyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[4-(1-benzothiophen-3-yl)butanoyl]piperidin-4-yl]acetamide is NC(=O)CC1CCN(C(=O)CCCc2csc3ccccc23)CC1.
What is the InChIKey of 2-[1-[4-(1-benzothiophen-3-yl)butanoyl]piperidin-4-yl]acetamide?
The InChIKey is WGCRVPRPOJZTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c20-18(22)12-14-8-10-21(11-9-14)19(23)7-3-4-15-13-24-17-6-2-1-5-16(15)17/h1-2,5-6,13-14H,3-4,7-12H2,(H2,20,22).
What are the key properties of 2-[1-[4-(1-benzothiophen-3-yl)butanoyl]piperidin-4-yl]acetamide?
2-[1-[4-(1-benzothiophen-3-yl)butanoyl]piperidin-4-yl]acetamide has a molecular weight of 344.48 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(1-benzothiophen-3-yl)butanoyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 126790115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).