N-[1-[(3-chloro-1-benzothiophen-2-yl)methyl]piperidin-4-yl]benzamide

C21H21ClN2OS — CID 33109099

IUPACN-[1-[(3-chloro-1-benzothiophen-2-yl)methyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(Cc2sc3ccccc3c2Cl)CC1)c1ccccc1
InChIInChI=1S/C21H21ClN2OS/c22-20-17-8-4-5-9-18(17)26-19(20)14-24-12-10-16(11-13-24)23-21(25)15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,23,25)
InChIKeyMUCOKHOEWLZVBY-UHFFFAOYSA-N
MW384.93 g/mol
LogP4.95
Rot. Bonds4

About N-[1-[(3-chloro-1-benzothiophen-2-yl)methyl]piperidin-4-yl]benzamide

N-[1-[(3-chloro-1-benzothiophen-2-yl)methyl]piperidin-4-yl]benzamide (PubChem CID 33109099) has the molecular formula C21H21ClN2OS and a molecular weight of 384.93 g/mol. Its IUPAC name is N-[1-[(3-chloro-1-benzothiophen-2-yl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(3-chloro-1-benzothiophen-2-yl)methyl]piperidin-4-yl]benzamide
PubChem CID33109099
Molecular FormulaC21H21ClN2OS
Molecular Weight384.93 g/mol
Exact Mass384.11
IUPAC NameN-[1-[(3-chloro-1-benzothiophen-2-yl)methyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(Cc2sc3ccccc3c2Cl)CC1)c1ccccc1
InChIInChI=1S/C21H21ClN2OS/c22-20-17-8-4-5-9-18(17)26-19(20)14-24-12-10-16(11-13-24)23-21(25)15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,23,25)
InChIKeyMUCOKHOEWLZVBY-UHFFFAOYSA-N
XLogP4.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.93
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3-chloro-1-benzothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 34713853
(3S,4R)-1-[(3-chloro-1-benzothiophen-2-yl)methyl]-4-hydroxypiperidine-3-carboxylic acid
CID 134709169
N-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]benzamide
CID 2802697
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
CID 26681867
N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 33103568
1-[(3-chloro-1-benzothiophen-2-yl)methyl]-4-ethylsulfonylpiperazine
CID 55464036
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]benzamide
CID 21413251
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
N-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-4-yl]benzamide
CID 33104635
2-[4-[(3-chloro-1-benzothiophen-2-yl)methyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 34922594

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chloro-1-benzothiophen-2-yl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[(3-chloro-1-benzothiophen-2-yl)methyl]piperidin-4-yl]benzamide (CID 33109099) is N-[1-[(3-chloro-1-benzothiophen-2-yl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[(3-chloro-1-benzothiophen-2-yl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[(3-chloro-1-benzothiophen-2-yl)methyl]piperidin-4-yl]benzamide is O=C(NC1CCN(Cc2sc3ccccc3c2Cl)CC1)c1ccccc1.
What is the InChIKey of N-[1-[(3-chloro-1-benzothiophen-2-yl)methyl]piperidin-4-yl]benzamide?
The InChIKey is MUCOKHOEWLZVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2OS/c22-20-17-8-4-5-9-18(17)26-19(20)14-24-12-10-16(11-13-24)23-21(25)15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,23,25).
What are the key properties of N-[1-[(3-chloro-1-benzothiophen-2-yl)methyl]piperidin-4-yl]benzamide?
N-[1-[(3-chloro-1-benzothiophen-2-yl)methyl]piperidin-4-yl]benzamide has a molecular weight of 384.93 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chloro-1-benzothiophen-2-yl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 33109099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).