N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride

C16H27ClN4O4 — CID 120945351

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)NCC1CNCC1O)C2=O.Cl
InChIInChI=1S/C16H26N4O4.ClH/c1-10-2-4-16(5-3-10)14(23)20(15(24)19-16)9-13(22)18-7-11-6-17-8-12(11)21;/h10-12,17,21H,2-9H2,1H3,(H,18,22)(H,19,24);1H
InChIKeyHRIDEQPWDDIPJQ-UHFFFAOYSA-N
MW374.87 g/mol
LogP-0.39
Rot. Bonds4

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride (PubChem CID 120945351) has the molecular formula C16H27ClN4O4 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
PubChem CID120945351
Molecular FormulaC16H27ClN4O4
Molecular Weight374.87 g/mol
Exact Mass374.17
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)NCC1CNCC1O)C2=O.Cl
InChIInChI=1S/C16H26N4O4.ClH/c1-10-2-4-16(5-3-10)14(23)20(15(24)19-16)9-13(22)18-7-11-6-17-8-12(11)21;/h10-12,17,21H,2-9H2,1H3,(H,18,22)(H,19,24);1H
InChIKeyHRIDEQPWDDIPJQ-UHFFFAOYSA-N
XLogP-0.39
TPSA110.77 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide
CID 9401246
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7531419
N-[[4-(methoxymethyl)phenyl]methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55614965
N-(4-fluorophenyl)-2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide
CID 2578408
2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 7240709
N-(2,6-dimethylphenyl)-2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide
CID 7240740
N-[2-(4-chlorophenyl)ethyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2578262
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
CID 120947256
(2R)-N-ethyl-2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]propanamide
CID 9401289
N-(4-bromophenyl)-2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide
CID 55879382
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-methylcyclohexyl)acetamide
CID 7043957
methyl N-[4-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]carbamate
CID 55805969

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride (CID 120945351) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride is CC1CCC2(CC1)NC(=O)N(CC(=O)NCC1CNCC1O)C2=O.Cl.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride?
The InChIKey is HRIDEQPWDDIPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4.ClH/c1-10-2-4-16(5-3-10)14(23)20(15(24)19-16)9-13(22)18-7-11-6-17-8-12(11)21;/h10-12,17,21H,2-9H2,1H3,(H,18,22)(H,19,24);1H.
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride has a molecular weight of 374.87 g/mol, XLogP of -0.39, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 120945351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).