N-[4-[2-[1-(4-methylpiperazin-1-yl)cyclopropanecarbonyl]-2,5-diazaspiro[3.4]octane-5-carbonyl]phenyl]acetamide

C24H33N5O3 — CID 171698178

IUPACN-[4-[2-[1-(4-methylpiperazin-1-yl)cyclopropanecarbonyl]-2,5-diazaspiro[3.4]octane-5-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCCC23CN(C(=O)C2(N4CCN(C)CC4)CC2)C3)cc1
InChIInChI=1S/C24H33N5O3/c1-18(30)25-20-6-4-19(5-7-20)21(31)29-11-3-8-23(29)16-27(17-23)22(32)24(9-10-24)28-14-12-26(2)13-15-28/h4-7H,3,8-17H2,1-2H3,(H,25,30)
InChIKeyGKOBQKLZPWUYHU-UHFFFAOYSA-N
MW439.56 g/mol
LogP1.24
Rot. Bonds4

About N-[4-[2-[1-(4-methylpiperazin-1-yl)cyclopropanecarbonyl]-2,5-diazaspiro[3.4]octane-5-carbonyl]phenyl]acetamide

N-[4-[2-[1-(4-methylpiperazin-1-yl)cyclopropanecarbonyl]-2,5-diazaspiro[3.4]octane-5-carbonyl]phenyl]acetamide (PubChem CID 171698178) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[4-[2-[1-(4-methylpiperazin-1-yl)cyclopropanecarbonyl]-2,5-diazaspiro[3.4]octane-5-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[1-(4-methylpiperazin-1-yl)cyclopropanecarbonyl]-2,5-diazaspiro[3.4]octane-5-carbonyl]phenyl]acetamide
PubChem CID171698178
Molecular FormulaC24H33N5O3
Molecular Weight439.56 g/mol
Exact Mass439.26
IUPAC NameN-[4-[2-[1-(4-methylpiperazin-1-yl)cyclopropanecarbonyl]-2,5-diazaspiro[3.4]octane-5-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCCC23CN(C(=O)C2(N4CCN(C)CC4)CC2)C3)cc1
InChIInChI=1S/C24H33N5O3/c1-18(30)25-20-6-4-19(5-7-20)21(31)29-11-3-8-23(29)16-27(17-23)22(32)24(9-10-24)28-14-12-26(2)13-15-28/h4-7H,3,8-17H2,1-2H3,(H,25,30)
InChIKeyGKOBQKLZPWUYHU-UHFFFAOYSA-N
XLogP1.24
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(difluoromethoxy)-N-[4-[1-[1-(4-methylpiperazin-1-yl)cyclopropanecarbonyl]piperidin-4-yl]phenyl]benzamide
CID 171685069
N-[4-(1-thia-4-azaspiro[5.5]undecane-4-carbonyl)phenyl]acetamide
CID 71975983
N-(4-acetamidophenyl)-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-2-carboxamide
CID 117079357
N-[4-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane-9-carbonyl)phenyl]propanamide
CID 56752137
1-methyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea
CID 118087553
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide
CID 14852210
(9-methyl-1,9-diazaspiro[4.6]undecan-1-yl)-(1-methylpyrrol-3-yl)methanone
CID 131679227
1-(2-benzoylspiro[1,4-dihydroisoquinoline-3,3'-piperidine]-1'-yl)ethanone
CID 134790826
N-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide
CID 47127479
N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487
[4-(aminomethyl)phenyl]-(4-methyl-1,4-diazaspiro[5.5]undecan-1-yl)methanone
CID 119899839
N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046134

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[1-(4-methylpiperazin-1-yl)cyclopropanecarbonyl]-2,5-diazaspiro[3.4]octane-5-carbonyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[1-(4-methylpiperazin-1-yl)cyclopropanecarbonyl]-2,5-diazaspiro[3.4]octane-5-carbonyl]phenyl]acetamide (CID 171698178) is N-[4-[2-[1-(4-methylpiperazin-1-yl)cyclopropanecarbonyl]-2,5-diazaspiro[3.4]octane-5-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[1-(4-methylpiperazin-1-yl)cyclopropanecarbonyl]-2,5-diazaspiro[3.4]octane-5-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[1-(4-methylpiperazin-1-yl)cyclopropanecarbonyl]-2,5-diazaspiro[3.4]octane-5-carbonyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)N2CCCC23CN(C(=O)C2(N4CCN(C)CC4)CC2)C3)cc1.
What is the InChIKey of N-[4-[2-[1-(4-methylpiperazin-1-yl)cyclopropanecarbonyl]-2,5-diazaspiro[3.4]octane-5-carbonyl]phenyl]acetamide?
The InChIKey is GKOBQKLZPWUYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-18(30)25-20-6-4-19(5-7-20)21(31)29-11-3-8-23(29)16-27(17-23)22(32)24(9-10-24)28-14-12-26(2)13-15-28/h4-7H,3,8-17H2,1-2H3,(H,25,30).
What are the key properties of N-[4-[2-[1-(4-methylpiperazin-1-yl)cyclopropanecarbonyl]-2,5-diazaspiro[3.4]octane-5-carbonyl]phenyl]acetamide?
N-[4-[2-[1-(4-methylpiperazin-1-yl)cyclopropanecarbonyl]-2,5-diazaspiro[3.4]octane-5-carbonyl]phenyl]acetamide has a molecular weight of 439.56 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[1-(4-methylpiperazin-1-yl)cyclopropanecarbonyl]-2,5-diazaspiro[3.4]octane-5-carbonyl]phenyl]acetamide is sourced from PubChem (CID 171698178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).