N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide

C22H31N5O4 — CID 35798356

IUPACN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccccc1N1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1
InChIInChI=1S/C22H31N5O4/c1-31-18-8-4-3-7-17(18)26-15-13-25(14-16-26)12-9-19(28)24-27-20(29)22(23-21(27)30)10-5-2-6-11-22/h3-4,7-8H,2,5-6,9-16H2,1H3,(H,23,30)(H,24,28)
InChIKeyQCNTXMRTHKMFHF-UHFFFAOYSA-N
MW429.52 g/mol
LogP1.49
Rot. Bonds6

About N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide (PubChem CID 35798356) has the molecular formula C22H31N5O4 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
PubChem CID35798356
Molecular FormulaC22H31N5O4
Molecular Weight429.52 g/mol
Exact Mass429.24
IUPAC NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccccc1N1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1
InChIInChI=1S/C22H31N5O4/c1-31-18-8-4-3-7-17(18)26-15-13-25(14-16-26)12-9-19(28)24-27-20(29)22(23-21(27)30)10-5-2-6-11-22/h3-4,7-8H,2,5-6,9-16H2,1H3,(H,23,30)(H,24,28)
InChIKeyQCNTXMRTHKMFHF-UHFFFAOYSA-N
XLogP1.49
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide
CID 24585619
N-[(4R,7S)-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 11597124
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-methoxybenzoate
CID 7891326
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 24585854
(3S)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 25484865
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
N-(3,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 1149684
3-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 55504513
N-[(2-fluorophenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 109020713
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methoxyphenyl)propanamide
CID 17446493
propan-2-yl 3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
CID 110186525
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-thia-3-azaspiro[4.4]nonan-4-one
CID 10692544

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide (CID 35798356) is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide is COc1ccccc1N1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1.
What is the InChIKey of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is QCNTXMRTHKMFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O4/c1-31-18-8-4-3-7-17(18)26-15-13-25(14-16-26)12-9-19(28)24-27-20(29)22(23-21(27)30)10-5-2-6-11-22/h3-4,7-8H,2,5-6,9-16H2,1H3,(H,23,30)(H,24,28).
What are the key properties of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 429.52 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 35798356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).