N,N-dimethyl-4-[3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzothiophene-2-carboxamide

C29H32N2O2S — CID 142029182

IUPACN,N-dimethyl-4-[3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzothiophene-2-carboxamide
SMILESCN(C)C(=O)c1cc2c(OCCCN3CCC(c4ccc5ccccc5c4)CC3)cccc2s1
InChIInChI=1S/C29H32N2O2S/c1-30(2)29(32)28-20-25-26(9-5-10-27(25)34-28)33-18-6-15-31-16-13-22(14-17-31)24-12-11-21-7-3-4-8-23(21)19-24/h3-5,7-12,19-20,22H,6,13-18H2,1-2H3
InChIKeyYXJPOVGTEWJHTQ-UHFFFAOYSA-N
MW472.65 g/mol
LogP6.40
Rot. Bonds7

About N,N-dimethyl-4-[3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzothiophene-2-carboxamide

N,N-dimethyl-4-[3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzothiophene-2-carboxamide (PubChem CID 142029182) has the molecular formula C29H32N2O2S and a molecular weight of 472.65 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzothiophene-2-carboxamide
PubChem CID142029182
Molecular FormulaC29H32N2O2S
Molecular Weight472.65 g/mol
Exact Mass472.22
IUPAC NameN,N-dimethyl-4-[3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzothiophene-2-carboxamide
SMILESCN(C)C(=O)c1cc2c(OCCCN3CCC(c4ccc5ccccc5c4)CC3)cccc2s1
InChIInChI=1S/C29H32N2O2S/c1-30(2)29(32)28-20-25-26(9-5-10-27(25)34-28)33-18-6-15-31-16-13-22(14-17-31)24-12-11-21-7-3-4-8-23(21)19-24/h3-5,7-12,19-20,22H,6,13-18H2,1-2H3
InChIKeyYXJPOVGTEWJHTQ-UHFFFAOYSA-N
XLogP6.40
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.65
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

acetylene;4-[3-[4-[3,4-bis(ethenyl)phenyl]piperidin-1-yl]propoxy]-N,N-dimethyl-1-benzothiophene-2-carboxamide
CID 142029125
3-[2-[3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]-1-pyrrolidin-1-ylprop-2-en-1-one
CID 139825746
3-[(3R)-1-[3-(4-fluorophenoxy)propyl]pyrrolidin-3-yl]-N,N-dimethyl-1-benzothiophene-2-carboxamide
CID 95812788
acetylene;(E)-N,N-diethyl-1-[4-[3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-yl]but-1-en-1-amine
CID 142029193
[5-[3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-2H-chromen-3-yl]-pyrrolidin-1-ylmethanone
CID 142029139
4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N,N-dimethyl-1-propan-2-ylindole-2-carboxamide
CID 22729214
ethyl 4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-carboxylate;[7-[(2S)-2-hydroxy-3-(4-naphthalen-2-yl-3,6-dihydro-2H-pyridin-1-yl)propoxy]-1-benzofuran-2-yl]-pyrrolidin-1-ylmethanone;4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N,N-dimethyl-1-benzothiophene-2-carboxamide;4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indole-2-carboxamide
CID 157311358
3-[2-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]-N-methoxy-N-methylprop-2-enamide
CID 139825583
ethyl 1-(3-naphthalen-2-yloxypropyl)piperidine-4-carboxylate
CID 6459062
4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indole-2-carboxylic acid
CID 22729075
N-[3-[1-[3-(2-bromophenoxy)propyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049496
(E)-3-[2-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]phenyl]-N-methyl-N-phenylprop-2-enamide
CID 11477925

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzothiophene-2-carboxamide?
The IUPAC name of N,N-dimethyl-4-[3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzothiophene-2-carboxamide (CID 142029182) is N,N-dimethyl-4-[3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzothiophene-2-carboxamide is CN(C)C(=O)c1cc2c(OCCCN3CCC(c4ccc5ccccc5c4)CC3)cccc2s1.
What is the InChIKey of N,N-dimethyl-4-[3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzothiophene-2-carboxamide?
The InChIKey is YXJPOVGTEWJHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O2S/c1-30(2)29(32)28-20-25-26(9-5-10-27(25)34-28)33-18-6-15-31-16-13-22(14-17-31)24-12-11-21-7-3-4-8-23(21)19-24/h3-5,7-12,19-20,22H,6,13-18H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzothiophene-2-carboxamide?
N,N-dimethyl-4-[3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzothiophene-2-carboxamide has a molecular weight of 472.65 g/mol, XLogP of 6.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 142029182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).