2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide

C22H37N5O5S — CID 55568120

IUPAC2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCCN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CC1
InChIInChI=1S/C22H37N5O5S/c1-5-25(6-2)20(28)16-24-10-7-11-26(15-14-24)22(29)19-8-12-27(13-9-19)33(30,31)21-17(3)23-32-18(21)4/h19H,5-16H2,1-4H3
InChIKeyNNAUTQQQMJKIEN-UHFFFAOYSA-N
MW483.64 g/mol
LogP1.09
Rot. Bonds7

About 2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide

2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide (PubChem CID 55568120) has the molecular formula C22H37N5O5S and a molecular weight of 483.64 g/mol. Its IUPAC name is 2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide
PubChem CID55568120
Molecular FormulaC22H37N5O5S
Molecular Weight483.64 g/mol
Exact Mass483.25
IUPAC Name2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCCN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CC1
InChIInChI=1S/C22H37N5O5S/c1-5-25(6-2)20(28)16-24-10-7-11-26(15-14-24)22(29)19-8-12-27(13-9-19)33(30,31)21-17(3)23-32-18(21)4/h19H,5-16H2,1-4H3
InChIKeyNNAUTQQQMJKIEN-UHFFFAOYSA-N
XLogP1.09
TPSA107.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.64
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

cyclopentyl-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]methanone
CID 55566653
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 53118801
4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde
CID 110335350
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119487512
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 51264936
(3-aminocyclopentyl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119697348
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]-pyrrolidin-3-ylmethanone
CID 119697373
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 42928364
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 63846405
[4-(4-chlorophenyl)piperazin-1-yl]-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanone
CID 3240304
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 3238897
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-piperazin-1-ylmethanone
CID 119402643

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide (CID 55568120) is 2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCCN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CC1.
What is the InChIKey of 2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide?
The InChIKey is NNAUTQQQMJKIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N5O5S/c1-5-25(6-2)20(28)16-24-10-7-11-26(15-14-24)22(29)19-8-12-27(13-9-19)33(30,31)21-17(3)23-32-18(21)4/h19H,5-16H2,1-4H3.
What are the key properties of 2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide?
2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide has a molecular weight of 483.64 g/mol, XLogP of 1.09, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 55568120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).