N-cyclopropyl-3-[[2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetyl]amino]benzamide

C22H30N6O3 — CID 43048679

IUPACN-cyclopropyl-3-[[2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetyl]amino]benzamide
SMILESCC(C)c1noc(CN2CCN(CC(=O)Nc3cccc(C(=O)NC4CC4)c3)CC2)n1
InChIInChI=1S/C22H30N6O3/c1-15(2)21-25-20(31-26-21)14-28-10-8-27(9-11-28)13-19(29)23-18-5-3-4-16(12-18)22(30)24-17-6-7-17/h3-5,12,15,17H,6-11,13-14H2,1-2H3,(H,23,29)(H,24,30)
InChIKeyQYLJTLMECYGOLP-UHFFFAOYSA-N
MW426.52 g/mol
LogP1.84
Rot. Bonds8

About N-cyclopropyl-3-[[2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetyl]amino]benzamide

N-cyclopropyl-3-[[2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetyl]amino]benzamide (PubChem CID 43048679) has the molecular formula C22H30N6O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-cyclopropyl-3-[[2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetyl]amino]benzamide
PubChem CID43048679
Molecular FormulaC22H30N6O3
Molecular Weight426.52 g/mol
Exact Mass426.24
IUPAC NameN-cyclopropyl-3-[[2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetyl]amino]benzamide
SMILESCC(C)c1noc(CN2CCN(CC(=O)Nc3cccc(C(=O)NC4CC4)c3)CC2)n1
InChIInChI=1S/C22H30N6O3/c1-15(2)21-25-20(31-26-21)14-28-10-8-27(9-11-28)13-19(29)23-18-5-3-4-16(12-18)22(30)24-17-6-7-17/h3-5,12,15,17H,6-11,13-14H2,1-2H3,(H,23,29)(H,24,30)
InChIKeyQYLJTLMECYGOLP-UHFFFAOYSA-N
XLogP1.84
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

N-(3-iodophenyl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 30890856
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide
CID 119908377
2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 30891247
N-[4-(difluoromethoxy)phenyl]-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 30703621
N-phenyl-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propanamide
CID 30891217
N-cyclopropyl-3-[[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]acetyl]amino]benzamide
CID 24665509
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 43048672
N-cyclopropyl-2-[4-[2-oxo-2-(3-propan-2-ylanilino)ethyl]piperazin-1-yl]acetamide
CID 30670633
N-cyclopropyl-3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide
CID 119906484
N-[4-(diethylsulfamoyl)phenyl]-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 43048633
3-[[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide
CID 37408790
N-cyclopropyl-3-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide
CID 30704619

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-3-[[2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetyl]amino]benzamide (CID 43048679) is N-cyclopropyl-3-[[2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[[2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetyl]amino]benzamide is CC(C)c1noc(CN2CCN(CC(=O)Nc3cccc(C(=O)NC4CC4)c3)CC2)n1.
What is the InChIKey of N-cyclopropyl-3-[[2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetyl]amino]benzamide?
The InChIKey is QYLJTLMECYGOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O3/c1-15(2)21-25-20(31-26-21)14-28-10-8-27(9-11-28)13-19(29)23-18-5-3-4-16(12-18)22(30)24-17-6-7-17/h3-5,12,15,17H,6-11,13-14H2,1-2H3,(H,23,29)(H,24,30).
What are the key properties of N-cyclopropyl-3-[[2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetyl]amino]benzamide?
N-cyclopropyl-3-[[2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetyl]amino]benzamide has a molecular weight of 426.52 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 43048679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).