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

C25H34N4O3S — CID 52723372

IUPACN-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(4-thiophen-2-ylbutanoylamino)benzamide
SMILESCCCNC(=O)CN1CCC(NC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)CC1
InChIInChI=1S/C25H34N4O3S/c1-2-13-26-24(31)18-29-14-11-20(12-15-29)28-25(32)19-6-3-7-21(17-19)27-23(30)10-4-8-22-9-5-16-33-22/h3,5-7,9,16-17,20H,2,4,8,10-15,18H2,1H3,(H,26,31)(H,27,30)(H,28,32)
InChIKeyYFWMUSDYXGEDPN-UHFFFAOYSA-N
MW470.64 g/mol
LogP3.43
Rot. Bonds11

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

N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(4-thiophen-2-ylbutanoylamino)benzamide (PubChem CID 52723372) has the molecular formula C25H34N4O3S and a molecular weight of 470.64 g/mol. Its IUPAC name is N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(4-thiophen-2-ylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(4-thiophen-2-ylbutanoylamino)benzamide
PubChem CID52723372
Molecular FormulaC25H34N4O3S
Molecular Weight470.64 g/mol
Exact Mass470.24
IUPAC NameN-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(4-thiophen-2-ylbutanoylamino)benzamide
SMILESCCCNC(=O)CN1CCC(NC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)CC1
InChIInChI=1S/C25H34N4O3S/c1-2-13-26-24(31)18-29-14-11-20(12-15-29)28-25(32)19-6-3-7-21(17-19)27-23(30)10-4-8-22-9-5-16-33-22/h3,5-7,9,16-17,20H,2,4,8,10-15,18H2,1H3,(H,26,31)(H,27,30)(H,28,32)
InChIKeyYFWMUSDYXGEDPN-UHFFFAOYSA-N
XLogP3.43
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.64
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 55961440
N-(4-aminocyclohexyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119478213
N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(thiophen-2-ylmethoxy)benzamide
CID 39144071
3-(methanesulfonamido)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 39135117
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 55969629
N-[3-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
CID 55966434
N-(2-aminoethyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119384896
N-[1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide
CID 47548206
N-[4-[3-(cyclopropylcarbamoyl)anilino]-4-oxobutyl]thiophene-2-carboxamide
CID 26110881
N-(2-amino-2-methylpropyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119629762
3-nitro-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 39146873
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide
CID 119908377

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(4-thiophen-2-ylbutanoylamino)benzamide?
The IUPAC name of N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(4-thiophen-2-ylbutanoylamino)benzamide (CID 52723372) is N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(4-thiophen-2-ylbutanoylamino)benzamide.
What is the SMILES notation for N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(4-thiophen-2-ylbutanoylamino)benzamide?
The canonical SMILES for N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(4-thiophen-2-ylbutanoylamino)benzamide is CCCNC(=O)CN1CCC(NC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)CC1.
What is the InChIKey of N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(4-thiophen-2-ylbutanoylamino)benzamide?
The InChIKey is YFWMUSDYXGEDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3S/c1-2-13-26-24(31)18-29-14-11-20(12-15-29)28-25(32)19-6-3-7-21(17-19)27-23(30)10-4-8-22-9-5-16-33-22/h3,5-7,9,16-17,20H,2,4,8,10-15,18H2,1H3,(H,26,31)(H,27,30)(H,28,32).
What are the key properties of N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(4-thiophen-2-ylbutanoylamino)benzamide?
N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(4-thiophen-2-ylbutanoylamino)benzamide has a molecular weight of 470.64 g/mol, XLogP of 3.43, 11 rotatable bonds, 3 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-(4-thiophen-2-ylbutanoylamino)benzamide is sourced from PubChem (CID 52723372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).