1-[5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-2-chlorophenyl]imidazolidin-2-one;hydrochloride

C18H26Cl2N4O3 — CID 119663507

IUPAC1-[5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-2-chlorophenyl]imidazolidin-2-one;hydrochloride
SMILESCl.NCCCOC1CCN(C(=O)c2ccc(Cl)c(N3CCNC3=O)c2)CC1
InChIInChI=1S/C18H25ClN4O3.ClH/c19-15-3-2-13(12-16(15)23-10-7-21-18(23)25)17(24)22-8-4-14(5-9-22)26-11-1-6-20;/h2-3,12,14H,1,4-11,20H2,(H,21,25);1H
InChIKeyOVMVOPIPOJXTHE-UHFFFAOYSA-N
MW417.34 g/mol
LogP2.26
Rot. Bonds6

About 1-[5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-2-chlorophenyl]imidazolidin-2-one;hydrochloride

1-[5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-2-chlorophenyl]imidazolidin-2-one;hydrochloride (PubChem CID 119663507) has the molecular formula C18H26Cl2N4O3 and a molecular weight of 417.34 g/mol. Its IUPAC name is 1-[5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-2-chlorophenyl]imidazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-2-chlorophenyl]imidazolidin-2-one;hydrochloride
PubChem CID119663507
Molecular FormulaC18H26Cl2N4O3
Molecular Weight417.34 g/mol
Exact Mass416.14
IUPAC Name1-[5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-2-chlorophenyl]imidazolidin-2-one;hydrochloride
SMILESCl.NCCCOC1CCN(C(=O)c2ccc(Cl)c(N3CCNC3=O)c2)CC1
InChIInChI=1S/C18H25ClN4O3.ClH/c19-15-3-2-13(12-16(15)23-10-7-21-18(23)25)17(24)22-8-4-14(5-9-22)26-11-1-6-20;/h2-3,12,14H,1,4-11,20H2,(H,21,25);1H
InChIKeyOVMVOPIPOJXTHE-UHFFFAOYSA-N
XLogP2.26
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-aminopropoxy)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone;hydrochloride
CID 119662913
[4-(3-aminopropoxy)piperidin-1-yl]-(1-benzothiophen-5-yl)methanone
CID 119662741
[4-(3-aminopropoxy)piperidin-1-yl]-(3-iodophenyl)methanone;hydrochloride
CID 119661929
[4-(3-aminopropoxy)piperidin-1-yl]-(5-bromo-2-chlorophenyl)methanone
CID 79736213
(3-amino-4-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82696199
[4-(3-aminopropoxy)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 119662498
[4-(3-aminopropoxy)piperidin-1-yl]-(3-bromophenyl)methanone
CID 79735516
(3S,4S)-1-[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120953519
[4-(3-aminopropoxy)piperidin-1-yl]-(3-chloro-5-methylphenyl)methanone
CID 81316588
7-[4-(3-aminopropoxy)piperidine-1-carbonyl]-3-ethyl-1H-quinazoline-2,4-dione;hydrochloride
CID 119662095
[4-(3-aminopropoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 119661915
N-(2-amino-1-cyclopropylethyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119615884

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-2-chlorophenyl]imidazolidin-2-one;hydrochloride?
The IUPAC name of 1-[5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-2-chlorophenyl]imidazolidin-2-one;hydrochloride (CID 119663507) is 1-[5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-2-chlorophenyl]imidazolidin-2-one;hydrochloride.
What is the SMILES notation for 1-[5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-2-chlorophenyl]imidazolidin-2-one;hydrochloride?
The canonical SMILES for 1-[5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-2-chlorophenyl]imidazolidin-2-one;hydrochloride is Cl.NCCCOC1CCN(C(=O)c2ccc(Cl)c(N3CCNC3=O)c2)CC1.
What is the InChIKey of 1-[5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-2-chlorophenyl]imidazolidin-2-one;hydrochloride?
The InChIKey is OVMVOPIPOJXTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O3.ClH/c19-15-3-2-13(12-16(15)23-10-7-21-18(23)25)17(24)22-8-4-14(5-9-22)26-11-1-6-20;/h2-3,12,14H,1,4-11,20H2,(H,21,25);1H.
What are the key properties of 1-[5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-2-chlorophenyl]imidazolidin-2-one;hydrochloride?
1-[5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-2-chlorophenyl]imidazolidin-2-one;hydrochloride has a molecular weight of 417.34 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-2-chlorophenyl]imidazolidin-2-one;hydrochloride is sourced from PubChem (CID 119663507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).