2-methyl-N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide

C26H29N5O3 — CID 55652059

IUPAC2-methyl-N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide
SMILESCc1ccc(-c2noc(CN3CCN(C(=O)c4cccc(NC(=O)C5CC5C)c4)CC3)n2)cc1
InChIInChI=1S/C26H29N5O3/c1-17-6-8-19(9-7-17)24-28-23(34-29-24)16-30-10-12-31(13-11-30)26(33)20-4-3-5-21(15-20)27-25(32)22-14-18(22)2/h3-9,15,18,22H,10-14,16H2,1-2H3,(H,27,32)
InChIKeyVMTYVZQHSUXVRU-UHFFFAOYSA-N
MW459.55 g/mol
LogP3.60
Rot. Bonds6

About 2-methyl-N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide

2-methyl-N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 55652059) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is 2-methyl-N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide
PubChem CID55652059
Molecular FormulaC26H29N5O3
Molecular Weight459.55 g/mol
Exact Mass459.23
IUPAC Name2-methyl-N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide
SMILESCc1ccc(-c2noc(CN3CCN(C(=O)c4cccc(NC(=O)C5CC5C)c4)CC3)n2)cc1
InChIInChI=1S/C26H29N5O3/c1-17-6-8-19(9-7-17)24-28-23(34-29-24)16-30-10-12-31(13-11-30)26(33)20-4-3-5-21(15-20)27-25(32)22-14-18(22)2/h3-9,15,18,22H,10-14,16H2,1-2H3,(H,27,32)
InChIKeyVMTYVZQHSUXVRU-UHFFFAOYSA-N
XLogP3.60
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 134042175
N-(3-methylphenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38141561
N-(3-chlorophenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38141601
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 26674950
2-methyl-N-[3-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide
CID 55650507
[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 24611543
2-methyl-6-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one
CID 16606409
[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(1-oxidopyridin-1-ium-4-yl)methanone
CID 134042190
N-[3-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]acetamide
CID 53041910
1-[1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]-3-phenylurea
CID 134042168
2-methyl-N-[3-(4-phenylpiperazine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 55647883
(4-fluorophenyl)-[4-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 36954997

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide (CID 55652059) is 2-methyl-N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide is Cc1ccc(-c2noc(CN3CCN(C(=O)c4cccc(NC(=O)C5CC5C)c4)CC3)n2)cc1.
What is the InChIKey of 2-methyl-N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is VMTYVZQHSUXVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3/c1-17-6-8-19(9-7-17)24-28-23(34-29-24)16-30-10-12-31(13-11-30)26(33)20-4-3-5-21(15-20)27-25(32)22-14-18(22)2/h3-9,15,18,22H,10-14,16H2,1-2H3,(H,27,32).
What are the key properties of 2-methyl-N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide?
2-methyl-N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 459.55 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55652059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).