1-[(3-chloro-1-benzothiophen-2-yl)methyl]-N,N-diethylpiperidine-4-carboxamide

C19H25ClN2OS — CID 86870561

IUPAC1-[(3-chloro-1-benzothiophen-2-yl)methyl]-N,N-diethylpiperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(Cc2sc3ccccc3c2Cl)CC1
InChIInChI=1S/C19H25ClN2OS/c1-3-22(4-2)19(23)14-9-11-21(12-10-14)13-17-18(20)15-7-5-6-8-16(15)24-17/h5-8,14H,3-4,9-13H2,1-2H3
InChIKeyQWWAPMPZTWGMPU-UHFFFAOYSA-N
MW364.94 g/mol
LogP4.64
Rot. Bonds5

About 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-N,N-diethylpiperidine-4-carboxamide

1-[(3-chloro-1-benzothiophen-2-yl)methyl]-N,N-diethylpiperidine-4-carboxamide (PubChem CID 86870561) has the molecular formula C19H25ClN2OS and a molecular weight of 364.94 g/mol. Its IUPAC name is 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-N,N-diethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-chloro-1-benzothiophen-2-yl)methyl]-N,N-diethylpiperidine-4-carboxamide
PubChem CID86870561
Molecular FormulaC19H25ClN2OS
Molecular Weight364.94 g/mol
Exact Mass364.14
IUPAC Name1-[(3-chloro-1-benzothiophen-2-yl)methyl]-N,N-diethylpiperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(Cc2sc3ccccc3c2Cl)CC1
InChIInChI=1S/C19H25ClN2OS/c1-3-22(4-2)19(23)14-9-11-21(12-10-14)13-17-18(20)15-7-5-6-8-16(15)24-17/h5-8,14H,3-4,9-13H2,1-2H3
InChIKeyQWWAPMPZTWGMPU-UHFFFAOYSA-N
XLogP4.64
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.94
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chloro-1-benzothiophen-2-yl)methyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119903920
1-[(3-chloro-1-benzothiophen-2-yl)methyl]-4-ethylsulfonylpiperazine
CID 55464036
N-[1-[(3-chloro-1-benzothiophen-2-yl)methyl]piperidin-4-yl]benzamide
CID 33109099
(3S,4R)-1-[(3-chloro-1-benzothiophen-2-yl)methyl]-4-hydroxypiperidine-3-carboxylic acid
CID 134709169
2-[4-[(3-chloro-1-benzothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 34713853
(3-chloro-1-benzothiophen-2-yl)methyl 1-(dimethylcarbamoyl)piperidine-4-carboxylate
CID 71895628
1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 86870595
1-[(2-chlorophenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide
CID 5024402
N-benzyl-1-[(4-chlorophenyl)methyl]-N-ethylpiperidine-4-carboxamide;oxalic acid
CID 2903464
(2S)-1-[(3-chloro-1-benzothiophen-2-yl)methyl]-N-propylpyrrolidine-2-carboxamide
CID 34415077
N,N-diethyl-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 795749
1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 1076473

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-N,N-diethylpiperidine-4-carboxamide?
The IUPAC name of 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-N,N-diethylpiperidine-4-carboxamide (CID 86870561) is 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-N,N-diethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-N,N-diethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-N,N-diethylpiperidine-4-carboxamide is CCN(CC)C(=O)C1CCN(Cc2sc3ccccc3c2Cl)CC1.
What is the InChIKey of 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-N,N-diethylpiperidine-4-carboxamide?
The InChIKey is QWWAPMPZTWGMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2OS/c1-3-22(4-2)19(23)14-9-11-21(12-10-14)13-17-18(20)15-7-5-6-8-16(15)24-17/h5-8,14H,3-4,9-13H2,1-2H3.
What are the key properties of 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-N,N-diethylpiperidine-4-carboxamide?
1-[(3-chloro-1-benzothiophen-2-yl)methyl]-N,N-diethylpiperidine-4-carboxamide has a molecular weight of 364.94 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-N,N-diethylpiperidine-4-carboxamide is sourced from PubChem (CID 86870561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).