N-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylpiperazine-1-carboxamide

C16H26N4O2S — CID 75379101

IUPACN-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylpiperazine-1-carboxamide
SMILESO=C(NCCCN1CCOCC1)N1CCN(c2cccs2)CC1
InChIInChI=1S/C16H26N4O2S/c21-16(17-4-2-5-18-10-12-22-13-11-18)20-8-6-19(7-9-20)15-3-1-14-23-15/h1,3,14H,2,4-13H2,(H,17,21)
InChIKeyYMNSNTAVUQZROK-UHFFFAOYSA-N
MW338.48 g/mol
LogP1.30
Rot. Bonds5

About N-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylpiperazine-1-carboxamide

N-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylpiperazine-1-carboxamide (PubChem CID 75379101) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylpiperazine-1-carboxamide
PubChem CID75379101
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC NameN-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylpiperazine-1-carboxamide
SMILESO=C(NCCCN1CCOCC1)N1CCN(c2cccs2)CC1
InChIInChI=1S/C16H26N4O2S/c21-16(17-4-2-5-18-10-12-22-13-11-18)20-8-6-19(7-9-20)15-3-1-14-23-15/h1,3,14H,2,4-13H2,(H,17,21)
InChIKeyYMNSNTAVUQZROK-UHFFFAOYSA-N
XLogP1.30
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-morpholin-4-ylpropyl)-4-phenylpiperazine-1-carboxamide
CID 14763453
4-[(4-thiophen-2-ylpiperazine-1-carbonyl)amino]butanoic acid
CID 122022218
1-(3-morpholin-4-ylpropyl)-3-thiophen-2-ylurea
CID 108889167
N-(2-morpholin-4-ylethyl)-4-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113106083
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[(1-thiophen-2-ylpiperidin-4-yl)amino]methylidene]amino]acetamide
CID 110045631
1-(3-morpholin-4-ylpropylcarbamoyl)piperidine-4-carboxylic acid
CID 43348298
N-butyl-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113103857
N-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylthiophene-2-carboxamide
CID 71690078
4-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113106095
4-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide
CID 112837389
4-(4-chlorophenyl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide
CID 11574139
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylpiperazine-1-carboxamide (CID 75379101) is N-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylpiperazine-1-carboxamide is O=C(NCCCN1CCOCC1)N1CCN(c2cccs2)CC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylpiperazine-1-carboxamide?
The InChIKey is YMNSNTAVUQZROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c21-16(17-4-2-5-18-10-12-22-13-11-18)20-8-6-19(7-9-20)15-3-1-14-23-15/h1,3,14H,2,4-13H2,(H,17,21).
What are the key properties of N-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylpiperazine-1-carboxamide?
N-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylpiperazine-1-carboxamide has a molecular weight of 338.48 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-4-thiophen-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 75379101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).