2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride

C17H30ClN5O3 — CID 119447957

IUPAC2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
SMILESCC1CCCCC12NC(=O)N(CC(=O)NCCN1CCNCC1)C2=O.Cl
InChIInChI=1S/C17H29N5O3.ClH/c1-13-4-2-3-5-17(13)15(24)22(16(25)20-17)12-14(23)19-8-11-21-9-6-18-7-10-21;/h13,18H,2-12H2,1H3,(H,19,23)(H,20,25);1H
InChIKeyIIYZBRVCMDQHGU-UHFFFAOYSA-N
MW387.91 g/mol
LogP-0.07
Rot. Bonds5

About 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride

2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride (PubChem CID 119447957) has the molecular formula C17H30ClN5O3 and a molecular weight of 387.91 g/mol. Its IUPAC name is 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
PubChem CID119447957
Molecular FormulaC17H30ClN5O3
Molecular Weight387.91 g/mol
Exact Mass387.20
IUPAC Name2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
SMILESCC1CCCCC12NC(=O)N(CC(=O)NCCN1CCNCC1)C2=O.Cl
InChIInChI=1S/C17H29N5O3.ClH/c1-13-4-2-3-5-17(13)15(24)22(16(25)20-17)12-14(23)19-8-11-21-9-6-18-7-10-21;/h13,18H,2-12H2,1H3,(H,19,23)(H,20,25);1H
InChIKeyIIYZBRVCMDQHGU-UHFFFAOYSA-N
XLogP-0.07
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119447958
N-(2-aminoethyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119384509
N-(3-methylbutyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 16545028
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119513291
N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3970224
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-prop-2-ynylacetamide
CID 27927864
N-[2-(cyclohexen-1-yl)ethyl]-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 9453527
2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
CID 7265087
N-[2-(4-fluorophenyl)ethyl]-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2081664
2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 8572080
2-[[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]-N-propan-2-ylacetamide
CID 25444061
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetic acid
CID 2106917

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride?
The IUPAC name of 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride (CID 119447957) is 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride is CC1CCCCC12NC(=O)N(CC(=O)NCCN1CCNCC1)C2=O.Cl.
What is the InChIKey of 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride?
The InChIKey is IIYZBRVCMDQHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O3.ClH/c1-13-4-2-3-5-17(13)15(24)22(16(25)20-17)12-14(23)19-8-11-21-9-6-18-7-10-21;/h13,18H,2-12H2,1H3,(H,19,23)(H,20,25);1H.
What are the key properties of 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride?
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride has a molecular weight of 387.91 g/mol, XLogP of -0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 119447957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).