N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(thiophen-2-ylmethoxy)benzamide

C22H29N3O3S — CID 39144071

IUPACN-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(thiophen-2-ylmethoxy)benzamide
SMILESCCCNC(=O)CN1CCC(NC(=O)c2cccc(OCc3cccs3)c2)CC1
InChIInChI=1S/C22H29N3O3S/c1-2-10-23-21(26)15-25-11-8-18(9-12-25)24-22(27)17-5-3-6-19(14-17)28-16-20-7-4-13-29-20/h3-7,13-14,18H,2,8-12,15-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyGGSMHEHFARYOAR-UHFFFAOYSA-N
MW415.56 g/mol
LogP3.05
Rot. Bonds9

About N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(thiophen-2-ylmethoxy)benzamide

N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(thiophen-2-ylmethoxy)benzamide (PubChem CID 39144071) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(thiophen-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(thiophen-2-ylmethoxy)benzamide
PubChem CID39144071
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC NameN-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(thiophen-2-ylmethoxy)benzamide
SMILESCCCNC(=O)CN1CCC(NC(=O)c2cccc(OCc3cccs3)c2)CC1
InChIInChI=1S/C22H29N3O3S/c1-2-10-23-21(26)15-25-11-8-18(9-12-25)24-22(27)17-5-3-6-19(14-17)28-16-20-7-4-13-29-20/h3-7,13-14,18H,2,8-12,15-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyGGSMHEHFARYOAR-UHFFFAOYSA-N
XLogP3.05
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-methylphenyl)methoxy]-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 39144729
N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 52723372
N-(4-aminocyclohexyl)-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride
CID 119478873
3-nitro-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 39146873
3-(methanesulfonamido)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 39135117
N-[1-[3-(thiophen-2-ylmethoxy)benzoyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46443461
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 55723349
3-fluoro-4-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 39145303
N-[1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide
CID 47548206
2-(3-chlorophenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide
CID 55658570
N-(3-piperazin-1-ylpropyl)-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride
CID 119394379
N-(1-benzylpiperidin-4-yl)-3-butoxybenzamide
CID 17176524

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(thiophen-2-ylmethoxy)benzamide?
The IUPAC name of N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(thiophen-2-ylmethoxy)benzamide (CID 39144071) is N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(thiophen-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(thiophen-2-ylmethoxy)benzamide?
The canonical SMILES for N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(thiophen-2-ylmethoxy)benzamide is CCCNC(=O)CN1CCC(NC(=O)c2cccc(OCc3cccs3)c2)CC1.
What is the InChIKey of N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(thiophen-2-ylmethoxy)benzamide?
The InChIKey is GGSMHEHFARYOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-2-10-23-21(26)15-25-11-8-18(9-12-25)24-22(27)17-5-3-6-19(14-17)28-16-20-7-4-13-29-20/h3-7,13-14,18H,2,8-12,15-16H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(thiophen-2-ylmethoxy)benzamide?
N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(thiophen-2-ylmethoxy)benzamide has a molecular weight of 415.56 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(thiophen-2-ylmethoxy)benzamide is sourced from PubChem (CID 39144071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).