N-[1-acetyl-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide

C22H33N5O4S — CID 23765294

IUPACN-[1-acetyl-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
SMILESCC(=O)N1CC(N(CCN2CCOCC2)C(=O)c2cccs2)CC1C(=O)N1CCNCC1
InChIInChI=1S/C22H33N5O4S/c1-17(28)27-16-18(15-19(27)21(29)25-6-4-23-5-7-25)26(22(30)20-3-2-14-32-20)9-8-24-10-12-31-13-11-24/h2-3,14,18-19,23H,4-13,15-16H2,1H3
InChIKeyADHMFDIZTSBMRP-UHFFFAOYSA-N
MW463.60 g/mol
LogP-0.06
Rot. Bonds6

About N-[1-acetyl-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide

N-[1-acetyl-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide (PubChem CID 23765294) has the molecular formula C22H33N5O4S and a molecular weight of 463.60 g/mol. Its IUPAC name is N-[1-acetyl-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-acetyl-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
PubChem CID23765294
Molecular FormulaC22H33N5O4S
Molecular Weight463.60 g/mol
Exact Mass463.23
IUPAC NameN-[1-acetyl-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
SMILESCC(=O)N1CC(N(CCN2CCOCC2)C(=O)c2cccs2)CC1C(=O)N1CCNCC1
InChIInChI=1S/C22H33N5O4S/c1-17(28)27-16-18(15-19(27)21(29)25-6-4-23-5-7-25)26(22(30)20-3-2-14-32-20)9-8-24-10-12-31-13-11-24/h2-3,14,18-19,23H,4-13,15-16H2,1H3
InChIKeyADHMFDIZTSBMRP-UHFFFAOYSA-N
XLogP-0.06
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(cyclopropanecarbonyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 23740641
N-[5-(1,4-diazepane-1-carbonyl)-1-(3-methoxybenzoyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 23931501
N-(3-morpholin-4-ylpropyl)-N-piperidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 146065216
N-cyclopropyl-N-[1-(3-methoxybenzoyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 23938445
[4-[benzyl(2-morpholin-4-ylethyl)amino]-1-(3-methoxybenzoyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 23857238
N-[5-(1,4-diazepane-1-carbonyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-4-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 23911294
1,4-diazepan-1-yl-[1-(4-fluorobenzoyl)-4-[(4-fluorophenyl)methyl-(2-morpholin-4-ylethyl)amino]pyrrolidin-2-yl]methanone
CID 23878215
N-(4-aminocyclohexyl)-4-[(4-methoxybenzoyl)-(2-morpholin-4-ylethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 23878610
N-[5-(1,4-diazepane-1-carbonyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-N-[(3-methoxyphenyl)methyl]-2-methylpropanamide
CID 23992670
[4-[(4-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 23905866
3,3-dimethyl-N-[5-(piperazine-1-carbonyl)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-N-(thiophen-2-ylmethyl)butanamide
CID 23763372
[4-[2-morpholin-4-ylethyl-[(4-nitrophenyl)methyl]amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 23765257

Frequently Asked Questions

What is the IUPAC name of N-[1-acetyl-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
The IUPAC name of N-[1-acetyl-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide (CID 23765294) is N-[1-acetyl-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[1-acetyl-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[1-acetyl-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide is CC(=O)N1CC(N(CCN2CCOCC2)C(=O)c2cccs2)CC1C(=O)N1CCNCC1.
What is the InChIKey of N-[1-acetyl-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
The InChIKey is ADHMFDIZTSBMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O4S/c1-17(28)27-16-18(15-19(27)21(29)25-6-4-23-5-7-25)26(22(30)20-3-2-14-32-20)9-8-24-10-12-31-13-11-24/h2-3,14,18-19,23H,4-13,15-16H2,1H3.
What are the key properties of N-[1-acetyl-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
N-[1-acetyl-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide has a molecular weight of 463.60 g/mol, XLogP of -0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-acetyl-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 23765294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).