3-[4-[2-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione;hydrochloride

C14H25ClN4O3 — CID 119434403

IUPAC3-[4-[2-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione;hydrochloride
SMILESCC(N)C1CCCCN1C(=O)CCCN1C(=O)CNC1=O.Cl
InChIInChI=1S/C14H24N4O3.ClH/c1-10(15)11-5-2-3-7-17(11)12(19)6-4-8-18-13(20)9-16-14(18)21;/h10-11H,2-9,15H2,1H3,(H,16,21);1H
InChIKeyQQTBZXGJOFFNNS-UHFFFAOYSA-N
MW332.83 g/mol
LogP0.47
Rot. Bonds5

About 3-[4-[2-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione;hydrochloride

3-[4-[2-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione;hydrochloride (PubChem CID 119434403) has the molecular formula C14H25ClN4O3 and a molecular weight of 332.83 g/mol. Its IUPAC name is 3-[4-[2-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-[4-[2-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione;hydrochloride
PubChem CID119434403
Molecular FormulaC14H25ClN4O3
Molecular Weight332.83 g/mol
Exact Mass332.16
IUPAC Name3-[4-[2-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione;hydrochloride
SMILESCC(N)C1CCCCN1C(=O)CCCN1C(=O)CNC1=O.Cl
InChIInChI=1S/C14H24N4O3.ClH/c1-10(15)11-5-2-3-7-17(11)12(19)6-4-8-18-13(20)9-16-14(18)21;/h10-11H,2-9,15H2,1H3,(H,16,21);1H
InChIKeyQQTBZXGJOFFNNS-UHFFFAOYSA-N
XLogP0.47
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[2-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione
CID 119435379
1-[2-(1-aminoethyl)piperidin-1-yl]pentan-1-one
CID 63255456
3-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 119435446
3-[[3-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione;hydrochloride
CID 119437149
3-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 119435279
1-[2-(1-aminoethyl)piperidin-1-yl]-4-(4-fluorophenoxy)butan-1-one
CID 119435438
1-[2-(1-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one
CID 119434457
1-[2-(1-aminoethyl)piperidin-1-yl]-4-(4-methylphenyl)butan-1-one
CID 119437112
2-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 119436468
N-[4-[2-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]cyclopropanecarboxamide
CID 119435923
1-[2-(1-aminoethyl)piperidin-1-yl]-4-pyrrolidin-1-ylsulfonylbutan-1-one
CID 119434466
1-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride
CID 119435273

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione;hydrochloride?
The IUPAC name of 3-[4-[2-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione;hydrochloride (CID 119434403) is 3-[4-[2-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 3-[4-[2-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 3-[4-[2-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione;hydrochloride is CC(N)C1CCCCN1C(=O)CCCN1C(=O)CNC1=O.Cl.
What is the InChIKey of 3-[4-[2-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione;hydrochloride?
The InChIKey is QQTBZXGJOFFNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3.ClH/c1-10(15)11-5-2-3-7-17(11)12(19)6-4-8-18-13(20)9-16-14(18)21;/h10-11H,2-9,15H2,1H3,(H,16,21);1H.
What are the key properties of 3-[4-[2-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione;hydrochloride?
3-[4-[2-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione;hydrochloride has a molecular weight of 332.83 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 119434403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).