N-(1-benzothiophen-5-yl)-3-propylpiperidine-3-carboxamide

C17H22N2OS — CID 63130559

IUPACN-(1-benzothiophen-5-yl)-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2ccc3sccc3c2)CCCNC1
InChIInChI=1S/C17H22N2OS/c1-2-7-17(8-3-9-18-12-17)16(20)19-14-4-5-15-13(11-14)6-10-21-15/h4-6,10-11,18H,2-3,7-9,12H2,1H3,(H,19,20)
InChIKeyOJSGKABEWCOMHB-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.01
Rot. Bonds4

About N-(1-benzothiophen-5-yl)-3-propylpiperidine-3-carboxamide

N-(1-benzothiophen-5-yl)-3-propylpiperidine-3-carboxamide (PubChem CID 63130559) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-3-propylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-3-propylpiperidine-3-carboxamide
PubChem CID63130559
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-(1-benzothiophen-5-yl)-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2ccc3sccc3c2)CCCNC1
InChIInChI=1S/C17H22N2OS/c1-2-7-17(8-3-9-18-12-17)16(20)19-14-4-5-15-13(11-14)6-10-21-15/h4-6,10-11,18H,2-3,7-9,12H2,1H3,(H,19,20)
InChIKeyOJSGKABEWCOMHB-UHFFFAOYSA-N
XLogP4.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzothiazol-6-yl)-3-propylpiperidine-3-carboxamide
CID 107805165
1-(aminomethyl)-N-(1-benzothiophen-5-yl)cyclopentane-1-carboxamide
CID 81489454
N-(3-ethynylphenyl)-3-propylpiperidine-3-carboxamide
CID 63132227
N-(1H-indol-5-yl)-3-propylpyrrolidine-3-carboxamide
CID 63141613
N-(4-hydroxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63139935
N-(3-carbamoyl-4-chlorophenyl)-3-propylpyrrolidine-3-carboxamide
CID 63139068
N-(4-bromo-2-ethylphenyl)-3-propylpiperidine-3-carboxamide
CID 81287911
N-(3-bromophenyl)-3-propylpyrrolidine-3-carboxamide
CID 55164937
3-propyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 63132688
N-(4-hydroxy-2,5-dimethylphenyl)-3-propylpiperidine-3-carboxamide
CID 106954421
N-(2,3-dihydro-1-benzofuran-5-yl)-3-propylpyrrolidine-3-carboxamide
CID 63140119
N-(4-chloro-2-iodophenyl)-3-propylpiperidine-3-carboxamide
CID 107625392

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-3-propylpiperidine-3-carboxamide?
The IUPAC name of N-(1-benzothiophen-5-yl)-3-propylpiperidine-3-carboxamide (CID 63130559) is N-(1-benzothiophen-5-yl)-3-propylpiperidine-3-carboxamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-3-propylpiperidine-3-carboxamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)-3-propylpiperidine-3-carboxamide is CCCC1(C(=O)Nc2ccc3sccc3c2)CCCNC1.
What is the InChIKey of N-(1-benzothiophen-5-yl)-3-propylpiperidine-3-carboxamide?
The InChIKey is OJSGKABEWCOMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-2-7-17(8-3-9-18-12-17)16(20)19-14-4-5-15-13(11-14)6-10-21-15/h4-6,10-11,18H,2-3,7-9,12H2,1H3,(H,19,20).
What are the key properties of N-(1-benzothiophen-5-yl)-3-propylpiperidine-3-carboxamide?
N-(1-benzothiophen-5-yl)-3-propylpiperidine-3-carboxamide has a molecular weight of 302.44 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-3-propylpiperidine-3-carboxamide is sourced from PubChem (CID 63130559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).