N-[3-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide

C25H32N4O4S — CID 55967041

IUPACN-[3-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)Nc1cccc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1
InChIInChI=1S/C25H32N4O4S/c30-23(8-2-6-22-7-3-17-34-22)26-21-5-1-4-20(18-21)25(32)29-11-9-28(10-12-29)24(31)19-27-13-15-33-16-14-27/h1,3-5,7,17-18H,2,6,8-16,19H2,(H,26,30)
InChIKeyFTEBQCCOFRRQTQ-UHFFFAOYSA-N
MW484.62 g/mol
LogP2.33
Rot. Bonds8

About N-[3-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide

N-[3-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide (PubChem CID 55967041) has the molecular formula C25H32N4O4S and a molecular weight of 484.62 g/mol. Its IUPAC name is N-[3-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[3-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
PubChem CID55967041
Molecular FormulaC25H32N4O4S
Molecular Weight484.62 g/mol
Exact Mass484.21
IUPAC NameN-[3-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)Nc1cccc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1
InChIInChI=1S/C25H32N4O4S/c30-23(8-2-6-22-7-3-17-34-22)26-21-5-1-4-20(18-21)25(32)29-11-9-28(10-12-29)24(31)19-27-13-15-33-16-14-27/h1,3-5,7,17-18H,2,6,8-16,19H2,(H,26,30)
InChIKeyFTEBQCCOFRRQTQ-UHFFFAOYSA-N
XLogP2.33
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
CID 55966434
N-[3-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
CID 55966949
N-[3-(4-aminopiperidine-1-carbonyl)phenyl]-4-thiophen-2-ylbutanamide;hydrochloride
CID 119376176
N-[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-4-thiophen-2-ylbutanamide
CID 56551130
N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide;hydrochloride
CID 119412713
1-[3-(4-thiophen-2-ylbutanoylamino)benzoyl]pyrrolidine-3-carboxylic acid
CID 119355077
N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
CID 119486542
N-[3-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
CID 55993255
N-(3-fluorophenyl)-2-[4-(4-thiophen-2-ylbutanoyl)piperazin-1-yl]acetamide
CID 9020329
N-(3-benzoylphenyl)-4-thiophen-2-ylbutanamide
CID 47092796
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 55966910
N-[3-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide
CID 55967328

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[3-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide (CID 55967041) is N-[3-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[3-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[3-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)Nc1cccc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1.
What is the InChIKey of N-[3-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide?
The InChIKey is FTEBQCCOFRRQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4S/c30-23(8-2-6-22-7-3-17-34-22)26-21-5-1-4-20(18-21)25(32)29-11-9-28(10-12-29)24(31)19-27-13-15-33-16-14-27/h1,3-5,7,17-18H,2,6,8-16,19H2,(H,26,30).
What are the key properties of N-[3-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide?
N-[3-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide has a molecular weight of 484.62 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 55967041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).