1-[5-(dipropylamino)-5-oxopentanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

C19H31N5O3S — CID 56552889

IUPAC1-[5-(dipropylamino)-5-oxopentanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESCCCN(CCC)C(=O)CCCC(=O)N1CCC(C(=O)Nc2nncs2)CC1
InChIInChI=1S/C19H31N5O3S/c1-3-10-23(11-4-2)16(25)6-5-7-17(26)24-12-8-15(9-13-24)18(27)21-19-22-20-14-28-19/h14-15H,3-13H2,1-2H3,(H,21,22,27)
InChIKeySXOIWPAMTFMZCZ-UHFFFAOYSA-N
MW409.56 g/mol
LogP2.53
Rot. Bonds10

About 1-[5-(dipropylamino)-5-oxopentanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

1-[5-(dipropylamino)-5-oxopentanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (PubChem CID 56552889) has the molecular formula C19H31N5O3S and a molecular weight of 409.56 g/mol. Its IUPAC name is 1-[5-(dipropylamino)-5-oxopentanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(dipropylamino)-5-oxopentanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
PubChem CID56552889
Molecular FormulaC19H31N5O3S
Molecular Weight409.56 g/mol
Exact Mass409.21
IUPAC Name1-[5-(dipropylamino)-5-oxopentanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESCCCN(CCC)C(=O)CCCC(=O)N1CCC(C(=O)Nc2nncs2)CC1
InChIInChI=1S/C19H31N5O3S/c1-3-10-23(11-4-2)16(25)6-5-7-17(26)24-12-8-15(9-13-24)18(27)21-19-22-20-14-28-19/h14-15H,3-13H2,1-2H3,(H,21,22,27)
InChIKeySXOIWPAMTFMZCZ-UHFFFAOYSA-N
XLogP2.53
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-phenylbutanoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 60523272
1-[5-(dipropylamino)-5-oxopentanoyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 56546135
1-(3,3-difluorobutanoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 154739258
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[5-(dipropylamino)-5-oxopentanoyl]piperidine-4-carboxamide
CID 56552654
1-ethylsulfonyl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 6471356
1-[4-(2,4-dichlorophenoxy)butanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 55957727
1-[5-(dipropylamino)-5-oxopentanoyl]-N-phenylpiperidine-3-carboxamide
CID 56538808
1-(5-ethylfuran-2-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 60523042
1-(1-propylsulfonylpiperidine-2-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 55991046
1-pentanoyl-N,N-dipropylpiperidine-4-carboxamide
CID 113005874
5-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-oxo-N,N-dipropylpentanamide
CID 119542393
1-pentanoyl-N-phenylpiperidine-4-carboxamide
CID 17491790

Frequently Asked Questions

What is the IUPAC name of 1-[5-(dipropylamino)-5-oxopentanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[5-(dipropylamino)-5-oxopentanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (CID 56552889) is 1-[5-(dipropylamino)-5-oxopentanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(dipropylamino)-5-oxopentanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(dipropylamino)-5-oxopentanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is CCCN(CCC)C(=O)CCCC(=O)N1CCC(C(=O)Nc2nncs2)CC1.
What is the InChIKey of 1-[5-(dipropylamino)-5-oxopentanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is SXOIWPAMTFMZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O3S/c1-3-10-23(11-4-2)16(25)6-5-7-17(26)24-12-8-15(9-13-24)18(27)21-19-22-20-14-28-19/h14-15H,3-13H2,1-2H3,(H,21,22,27).
What are the key properties of 1-[5-(dipropylamino)-5-oxopentanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
1-[5-(dipropylamino)-5-oxopentanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 409.56 g/mol, XLogP of 2.53, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dipropylamino)-5-oxopentanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 56552889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).