3-amino-N-[[1-[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride

C18H30ClN5O4 — CID 120580314

IUPAC3-amino-N-[[1-[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCC1(C2CC2)NC(=O)N(CC(=O)N2CCCCC2CNC(=O)CCN)C1=O.Cl
InChIInChI=1S/C18H29N5O4.ClH/c1-18(12-5-6-12)16(26)23(17(27)21-18)11-15(25)22-9-3-2-4-13(22)10-20-14(24)7-8-19;/h12-13H,2-11,19H2,1H3,(H,20,24)(H,21,27);1H
InChIKeyOLWFNADLBPBWIC-UHFFFAOYSA-N
MW415.92 g/mol
LogP-0.03
Rot. Bonds7

About 3-amino-N-[[1-[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride

3-amino-N-[[1-[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120580314) has the molecular formula C18H30ClN5O4 and a molecular weight of 415.92 g/mol. Its IUPAC name is 3-amino-N-[[1-[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120580314
Molecular FormulaC18H30ClN5O4
Molecular Weight415.92 g/mol
Exact Mass415.20
IUPAC Name3-amino-N-[[1-[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCC1(C2CC2)NC(=O)N(CC(=O)N2CCCCC2CNC(=O)CCN)C1=O.Cl
InChIInChI=1S/C18H29N5O4.ClH/c1-18(12-5-6-12)16(26)23(17(27)21-18)11-15(25)22-9-3-2-4-13(22)10-20-14(24)7-8-19;/h12-13H,2-11,19H2,1H3,(H,20,24)(H,21,27);1H
InChIKeyOLWFNADLBPBWIC-UHFFFAOYSA-N
XLogP-0.03
TPSA124.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 5-0.03
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

5-cyclopropyl-5-methyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride
CID 119649000
3-amino-N-[[1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578542
3-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 119434841
3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579984
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
CID 128935614
3-amino-N-[[1-(3-cyclopentylpropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579242
3-amino-N-[[1-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120580056
N-[2-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-2-oxoethyl]butanamide
CID 120578111
N-(2-amino-2-methylpropyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
CID 119626308
5-cyclopropyl-5-methyl-3-[2-oxo-2-[2-(2-phenylethyl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 87025737
5-cyclopropyl-5-methyl-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 56809766
3-amino-N-[[1-(azetidine-3-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 122084349

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120580314) is 3-amino-N-[[1-[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride is CC1(C2CC2)NC(=O)N(CC(=O)N2CCCCC2CNC(=O)CCN)C1=O.Cl.
What is the InChIKey of 3-amino-N-[[1-[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is OLWFNADLBPBWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O4.ClH/c1-18(12-5-6-12)16(26)23(17(27)21-18)11-15(25)22-9-3-2-4-13(22)10-20-14(24)7-8-19;/h12-13H,2-11,19H2,1H3,(H,20,24)(H,21,27);1H.
What are the key properties of 3-amino-N-[[1-[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 415.92 g/mol, XLogP of -0.03, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120580314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).