3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride

C14H23ClN4O3 — CID 119450875

IUPAC3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCl.O=C(CCN1C(=O)NC2(CCCC2)C1=O)NC1CCNC1
InChIInChI=1S/C14H22N4O3.ClH/c19-11(16-10-3-7-15-9-10)4-8-18-12(20)14(17-13(18)21)5-1-2-6-14;/h10,15H,1-9H2,(H,16,19)(H,17,21);1H
InChIKeyMLRIFZRLRLULES-UHFFFAOYSA-N
MW330.82 g/mol
LogP0.14
Rot. Bonds4

About 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride (PubChem CID 119450875) has the molecular formula C14H23ClN4O3 and a molecular weight of 330.82 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
PubChem CID119450875
Molecular FormulaC14H23ClN4O3
Molecular Weight330.82 g/mol
Exact Mass330.15
IUPAC Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCl.O=C(CCN1C(=O)NC2(CCCC2)C1=O)NC1CCNC1
InChIInChI=1S/C14H22N4O3.ClH/c19-11(16-10-3-7-15-9-10)4-8-18-12(20)14(17-13(18)21)5-1-2-6-14;/h10,15H,1-9H2,(H,16,19)(H,17,21);1H
InChIKeyMLRIFZRLRLULES-UHFFFAOYSA-N
XLogP0.14
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-piperidin-3-ylpropanamide
CID 119425679
N-cycloheptyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 17409825
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pyrrolidin-3-ylacetamide
CID 119450197
N-[2-(aminomethyl)cyclopentyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride
CID 119601938
ethyl 4-[3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoylamino]piperidine-1-carboxylate
CID 31844794
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 41291477
N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
CID 124725635
N-[2-(aminomethyl)cyclohexyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 119610181
N-(2-adamantyl)-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 17462541
N-[3-(cyclohexylamino)-3-oxopropyl]-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanamide
CID 55952841
N-[2-(cycloheptylamino)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 119619852
N-cycloheptyl-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 51138945

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride (CID 119450875) is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride is Cl.O=C(CCN1C(=O)NC2(CCCC2)C1=O)NC1CCNC1.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The InChIKey is MLRIFZRLRLULES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3.ClH/c19-11(16-10-3-7-15-9-10)4-8-18-12(20)14(17-13(18)21)5-1-2-6-14;/h10,15H,1-9H2,(H,16,19)(H,17,21);1H.
What are the key properties of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride?
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride has a molecular weight of 330.82 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride is sourced from PubChem (CID 119450875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).