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

C25H34N4O2S — CID 42848391

IUPACN-[1-[2-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-2-thiophen-2-ylacetamide
SMILESCC(C)N1CCN(C(=O)c2ccccc2N2CCC(NC(=O)Cc3cccs3)CC2)CC1
InChIInChI=1S/C25H34N4O2S/c1-19(2)27-13-15-29(16-14-27)25(31)22-7-3-4-8-23(22)28-11-9-20(10-12-28)26-24(30)18-21-6-5-17-32-21/h3-8,17,19-20H,9-16,18H2,1-2H3,(H,26,30)
InChIKeyAWRLJJMQUKWEDM-UHFFFAOYSA-N
MW454.64 g/mol
LogP3.24
Rot. Bonds6

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

N-[1-[2-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-2-thiophen-2-ylacetamide (PubChem CID 42848391) has the molecular formula C25H34N4O2S and a molecular weight of 454.64 g/mol. Its IUPAC name is N-[1-[2-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[1-[2-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-2-thiophen-2-ylacetamide
PubChem CID42848391
Molecular FormulaC25H34N4O2S
Molecular Weight454.64 g/mol
Exact Mass454.24
IUPAC NameN-[1-[2-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-2-thiophen-2-ylacetamide
SMILESCC(C)N1CCN(C(=O)c2ccccc2N2CCC(NC(=O)Cc3cccs3)CC2)CC1
InChIInChI=1S/C25H34N4O2S/c1-19(2)27-13-15-29(16-14-27)25(31)22-7-3-4-8-23(22)28-11-9-20(10-12-28)26-24(30)18-21-6-5-17-32-21/h3-8,17,19-20H,9-16,18H2,1-2H3,(H,26,30)
InChIKeyAWRLJJMQUKWEDM-UHFFFAOYSA-N
XLogP3.24
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.64
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(4-acetylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 46038077
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-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide
CID 110822347
N-(1-propan-2-ylpiperidin-4-yl)-3-thiophen-2-ylpropanamide
CID 110751959
N-[1-(4-oxopentanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554283
N,N-diethyl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide
CID 108561438
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-[1-[2-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]acetamide
CID 42848348
methyl 2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]benzoate
CID 113078375

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[1-[2-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-2-thiophen-2-ylacetamide (CID 42848391) is N-[1-[2-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[1-[2-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[1-[2-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-2-thiophen-2-ylacetamide is CC(C)N1CCN(C(=O)c2ccccc2N2CCC(NC(=O)Cc3cccs3)CC2)CC1.
What is the InChIKey of N-[1-[2-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-2-thiophen-2-ylacetamide?
The InChIKey is AWRLJJMQUKWEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2S/c1-19(2)27-13-15-29(16-14-27)25(31)22-7-3-4-8-23(22)28-11-9-20(10-12-28)26-24(30)18-21-6-5-17-32-21/h3-8,17,19-20H,9-16,18H2,1-2H3,(H,26,30).
What are the key properties of N-[1-[2-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-2-thiophen-2-ylacetamide?
N-[1-[2-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-2-thiophen-2-ylacetamide has a molecular weight of 454.64 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 42848391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).