2-(cyclopropylmethylamino)-1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone

C21H29N5O2 — CID 119855476

IUPAC2-(cyclopropylmethylamino)-1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone
SMILESCc1ccc(-c2noc(C(C)N3CCN(C(=O)CNCC4CC4)CC3)n2)cc1
InChIInChI=1S/C21H29N5O2/c1-15-3-7-18(8-4-15)20-23-21(28-24-20)16(2)25-9-11-26(12-10-25)19(27)14-22-13-17-5-6-17/h3-4,7-8,16-17,22H,5-6,9-14H2,1-2H3
InChIKeyDZDLQCYUUMQRIL-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.25
Rot. Bonds7

About 2-(cyclopropylmethylamino)-1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone

2-(cyclopropylmethylamino)-1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone (PubChem CID 119855476) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone
PubChem CID119855476
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name2-(cyclopropylmethylamino)-1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone
SMILESCc1ccc(-c2noc(C(C)N3CCN(C(=O)CNCC4CC4)CC3)n2)cc1
InChIInChI=1S/C21H29N5O2/c1-15-3-7-18(8-4-15)20-23-21(28-24-20)16(2)25-9-11-26(12-10-25)19(27)14-22-13-17-5-6-17/h3-4,7-8,16-17,22H,5-6,9-14H2,1-2H3
InChIKeyDZDLQCYUUMQRIL-UHFFFAOYSA-N
XLogP2.25
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(cyclopropylmethylamino)-1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone
CID 119855482
1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]butan-1-one
CID 42952118
1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone
CID 43073729
1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 55636664
(1-aminocyclopropyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119855455
2-[3-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 55578891
3-[2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 55636685
methyl 3-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]benzoate
CID 55830701
(3,5-dimethoxy-4-methylphenyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone
CID 43073653
methyl 4-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carboxylate
CID 78865009
(3,4-diethoxyphenyl)-[4-[(1S)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone
CID 38779909
N-(cyclopentylcarbamoyl)-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide
CID 55628129

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(cyclopropylmethylamino)-1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone (CID 119855476) is 2-(cyclopropylmethylamino)-1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(cyclopropylmethylamino)-1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(cyclopropylmethylamino)-1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone is Cc1ccc(-c2noc(C(C)N3CCN(C(=O)CNCC4CC4)CC3)n2)cc1.
What is the InChIKey of 2-(cyclopropylmethylamino)-1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone?
The InChIKey is DZDLQCYUUMQRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-15-3-7-18(8-4-15)20-23-21(28-24-20)16(2)25-9-11-26(12-10-25)19(27)14-22-13-17-5-6-17/h3-4,7-8,16-17,22H,5-6,9-14H2,1-2H3.
What are the key properties of 2-(cyclopropylmethylamino)-1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone?
2-(cyclopropylmethylamino)-1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone has a molecular weight of 383.50 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 119855476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).