N-[1-[2-(4-acetylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-2-thiophen-2-ylacetamide

C24H30N4O3S — CID 46038077

IUPACN-[1-[2-(4-acetylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-2-thiophen-2-ylacetamide
SMILESCC(=O)N1CCN(C(=O)c2ccccc2N2CCC(NC(=O)Cc3cccs3)CC2)CC1
InChIInChI=1S/C24H30N4O3S/c1-18(29)26-12-14-28(15-13-26)24(31)21-6-2-3-7-22(21)27-10-8-19(9-11-27)25-23(30)17-20-5-4-16-32-20/h2-7,16,19H,8-15,17H2,1H3,(H,25,30)
InChIKeyMKDWHJAZAQHIKR-UHFFFAOYSA-N
MW454.60 g/mol
LogP2.38
Rot. Bonds5

About N-[1-[2-(4-acetylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-2-thiophen-2-ylacetamide

N-[1-[2-(4-acetylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-2-thiophen-2-ylacetamide (PubChem CID 46038077) has the molecular formula C24H30N4O3S and a molecular weight of 454.60 g/mol. Its IUPAC name is N-[1-[2-(4-acetylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[1-[2-(4-acetylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-2-thiophen-2-ylacetamide
PubChem CID46038077
Molecular FormulaC24H30N4O3S
Molecular Weight454.60 g/mol
Exact Mass454.20
IUPAC NameN-[1-[2-(4-acetylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-2-thiophen-2-ylacetamide
SMILESCC(=O)N1CCN(C(=O)c2ccccc2N2CCC(NC(=O)Cc3cccs3)CC2)CC1
InChIInChI=1S/C24H30N4O3S/c1-18(29)26-12-14-28(15-13-26)24(31)21-6-2-3-7-22(21)27-10-8-19(9-11-27)25-23(30)17-20-5-4-16-32-20/h2-7,16,19H,8-15,17H2,1H3,(H,25,30)
InChIKeyMKDWHJAZAQHIKR-UHFFFAOYSA-N
XLogP2.38
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 42848391
N-cyclopropyl-2-[4-[(2-thiophen-2-ylacetyl)amino]piperidin-1-yl]benzamide
CID 46156025
N-prop-2-enyl-2-[4-[(2-thiophen-2-ylacetyl)amino]piperidin-1-yl]benzamide
CID 42848173
N-[1-(4-oxopentanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554283
N-[1-[2-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]acetamide
CID 42848348
2-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 113083187
N-(2,2-dimethylpropyl)-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide
CID 110822570
N-[1-(3-methoxypropanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554268
N,N-diethyl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide
CID 108561438
methyl 2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]benzoate
CID 113078375
N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide
CID 110822347
N-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-phenylpropanamide
CID 46037987

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-acetylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[1-[2-(4-acetylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-2-thiophen-2-ylacetamide (CID 46038077) is N-[1-[2-(4-acetylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[1-[2-(4-acetylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[1-[2-(4-acetylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-2-thiophen-2-ylacetamide is CC(=O)N1CCN(C(=O)c2ccccc2N2CCC(NC(=O)Cc3cccs3)CC2)CC1.
What is the InChIKey of N-[1-[2-(4-acetylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-2-thiophen-2-ylacetamide?
The InChIKey is MKDWHJAZAQHIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3S/c1-18(29)26-12-14-28(15-13-26)24(31)21-6-2-3-7-22(21)27-10-8-19(9-11-27)25-23(30)17-20-5-4-16-32-20/h2-7,16,19H,8-15,17H2,1H3,(H,25,30).
What are the key properties of N-[1-[2-(4-acetylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-2-thiophen-2-ylacetamide?
N-[1-[2-(4-acetylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-2-thiophen-2-ylacetamide has a molecular weight of 454.60 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-acetylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 46038077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).