1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide

C22H29N5O3S — CID 22513520

IUPAC1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)C2CCCN(c3nnc(N4CCCC4=O)s3)C2)cc1
InChIInChI=1S/C22H29N5O3S/c1-15(2)30-18-9-7-16(8-10-18)13-23-20(29)17-5-3-11-26(14-17)21-24-25-22(31-21)27-12-4-6-19(27)28/h7-10,15,17H,3-6,11-14H2,1-2H3,(H,23,29)
InChIKeySVDKONYMOCFXHN-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.98
Rot. Bonds7

About 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide

1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 22513520) has the molecular formula C22H29N5O3S and a molecular weight of 443.57 g/mol. Its IUPAC name is 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
PubChem CID22513520
Molecular FormulaC22H29N5O3S
Molecular Weight443.57 g/mol
Exact Mass443.20
IUPAC Name1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)C2CCCN(c3nnc(N4CCCC4=O)s3)C2)cc1
InChIInChI=1S/C22H29N5O3S/c1-15(2)30-18-9-7-16(8-10-18)13-23-20(29)17-5-3-11-26(14-17)21-24-25-22(31-21)27-12-4-6-19(27)28/h7-10,15,17H,3-6,11-14H2,1-2H3,(H,23,29)
InChIKeySVDKONYMOCFXHN-UHFFFAOYSA-N
XLogP2.98
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 22513382
1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propoxyphenyl)methyl]piperidine-4-carboxamide
CID 22513427
N-(3-methoxybenzyl)-1-[5-(2-oxo-1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide
CID 22513393
(2S)-N-[(2-ethoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 92736848
(2S)-N-[(3-methoxyphenyl)methyl]-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 92750446
N-(5-amino-1,3,4-thiadiazol-2-yl)-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide
CID 177337343
(3S)-N-[5-[[(3R)-1-[(2Z)-penta-2,4-dienehydrazonoyl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 177337490
N-(5-bromo-2-methoxybenzyl)-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 22513522
N-[(4-methoxyphenyl)methyl]-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 133492241
N-[(2-ethoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 22513424
1-[5-(2-Oxopyrrolidin-1-YL)-1,3,4-thiadiazol-2-YL]-N-{[4-(propan-2-yloxy)phenyl]methyl}piperidine-4-carboxamide
CID 22513428
N-[(2H-1,3-Benzodioxol-5-YL)methyl]-1-[5-(2-oxopyrrolidin-1-YL)-1,3,4-thiadiazol-2-YL]piperidine-3-carboxamide
CID 22513470

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide (CID 22513520) is 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide is CC(C)Oc1ccc(CNC(=O)C2CCCN(c3nnc(N4CCCC4=O)s3)C2)cc1.
What is the InChIKey of 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is SVDKONYMOCFXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3S/c1-15(2)30-18-9-7-16(8-10-18)13-23-20(29)17-5-3-11-26(14-17)21-24-25-22(31-21)27-12-4-6-19(27)28/h7-10,15,17H,3-6,11-14H2,1-2H3,(H,23,29).
What are the key properties of 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide?
1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 443.57 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 22513520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).