2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C22H31N5O3 — CID 56546917

IUPAC2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCN(CC)C(C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1)c1ccccc1
InChIInChI=1S/C22H31N5O3/c1-4-26(5-2)21(18-9-7-6-8-10-18)22(29)27-13-11-25(12-14-27)16-20(28)23-19-15-17(3)30-24-19/h6-10,15,21H,4-5,11-14,16H2,1-3H3,(H,23,24,28)
InChIKeyIDVVTPINCKWZFV-UHFFFAOYSA-N
MW413.52 g/mol
LogP2.15
Rot. Bonds8

About 2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 56546917) has the molecular formula C22H31N5O3 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID56546917
Molecular FormulaC22H31N5O3
Molecular Weight413.52 g/mol
Exact Mass413.24
IUPAC Name2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCCN(CC)C(C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1)c1ccccc1
InChIInChI=1S/C22H31N5O3/c1-4-26(5-2)21(18-9-7-6-8-10-18)22(29)27-13-11-25(12-14-27)16-20(28)23-19-15-17(3)30-24-19/h6-10,15,21H,4-5,11-14,16H2,1-3H3,(H,23,24,28)
InChIKeyIDVVTPINCKWZFV-UHFFFAOYSA-N
XLogP2.15
TPSA81.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 56538556
2-(4-benzoylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9223107
2-[4-(2-acetamidopropanoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 24645151
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2530022
2-fluoro-N-[(2S)-3-methyl-1-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]-1-oxobutan-2-yl]benzamide
CID 55928859
1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(diethylamino)-2-phenylethanone
CID 56540097
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoyl]piperazin-1-yl]acetamide
CID 24608511
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-phenoxybenzoyl)piperazin-1-yl]acetamide
CID 52542227
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 16596717
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-propan-2-ylquinoline-4-carbonyl)piperazin-1-yl]acetamide
CID 33300625
2-(4-benzylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8904460
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 30662699

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 56546917) is 2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is CCN(CC)C(C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1)c1ccccc1.
What is the InChIKey of 2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is IDVVTPINCKWZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O3/c1-4-26(5-2)21(18-9-7-6-8-10-18)22(29)27-13-11-25(12-14-27)16-20(28)23-19-15-17(3)30-24-19/h6-10,15,21H,4-5,11-14,16H2,1-3H3,(H,23,24,28).
What are the key properties of 2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 413.52 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 56546917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).