1-[1-[2-(butylamino)benzoyl]piperidin-3-yl]imidazolidin-2-one

C19H28N4O2 — CID 84594683

IUPAC1-[1-[2-(butylamino)benzoyl]piperidin-3-yl]imidazolidin-2-one
SMILESCCCCNc1ccccc1C(=O)N1CCCC(N2CCNC2=O)C1
InChIInChI=1S/C19H28N4O2/c1-2-3-10-20-17-9-5-4-8-16(17)18(24)22-12-6-7-15(14-22)23-13-11-21-19(23)25/h4-5,8-9,15,20H,2-3,6-7,10-14H2,1H3,(H,21,25)
InChIKeyAUVZGRUJDOWRIR-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.53
Rot. Bonds6

About 1-[1-[2-(butylamino)benzoyl]piperidin-3-yl]imidazolidin-2-one

1-[1-[2-(butylamino)benzoyl]piperidin-3-yl]imidazolidin-2-one (PubChem CID 84594683) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[1-[2-(butylamino)benzoyl]piperidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[2-(butylamino)benzoyl]piperidin-3-yl]imidazolidin-2-one
PubChem CID84594683
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-[1-[2-(butylamino)benzoyl]piperidin-3-yl]imidazolidin-2-one
SMILESCCCCNc1ccccc1C(=O)N1CCCC(N2CCNC2=O)C1
InChIInChI=1S/C19H28N4O2/c1-2-3-10-20-17-9-5-4-8-16(17)18(24)22-12-6-7-15(14-22)23-13-11-21-19(23)25/h4-5,8-9,15,20H,2-3,6-7,10-14H2,1H3,(H,21,25)
InChIKeyAUVZGRUJDOWRIR-UHFFFAOYSA-N
XLogP2.53
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3S)-1-(2-methoxypyridine-3-carbonyl)piperidin-3-yl]imidazolidin-2-one
CID 95591065
7-[2-(ethylamino)benzoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79094873
(3R)-N-benzyl-3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxamide
CID 95047911
1-[1-[2-chloro-4-(methylamino)benzoyl]piperidin-3-yl]imidazolidin-2-one
CID 136560527
[2-(3-cyclopentylpropylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 71855541
(3-hydroxypiperidin-1-yl)-[2-(3-phenylpropylamino)phenyl]methanone
CID 111753525
1-[(3S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperidin-3-yl]imidazolidin-2-one
CID 95585674
(4-ethyl-3-methylpiperazin-1-yl)-[2-(propylamino)phenyl]methanone
CID 63605316
(3-ethylpiperidin-1-yl)-[2-(methylamino)phenyl]methanone
CID 61377467
1-[1-[2-[benzyl(methyl)amino]acetyl]piperidin-3-yl]imidazolidin-2-one
CID 56821742
3-[3-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 71936111
1-[1-(4-methoxy-3-phenylbenzoyl)piperidin-3-yl]imidazolidin-2-one
CID 138998320

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(butylamino)benzoyl]piperidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[2-(butylamino)benzoyl]piperidin-3-yl]imidazolidin-2-one (CID 84594683) is 1-[1-[2-(butylamino)benzoyl]piperidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[2-(butylamino)benzoyl]piperidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[2-(butylamino)benzoyl]piperidin-3-yl]imidazolidin-2-one is CCCCNc1ccccc1C(=O)N1CCCC(N2CCNC2=O)C1.
What is the InChIKey of 1-[1-[2-(butylamino)benzoyl]piperidin-3-yl]imidazolidin-2-one?
The InChIKey is AUVZGRUJDOWRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-2-3-10-20-17-9-5-4-8-16(17)18(24)22-12-6-7-15(14-22)23-13-11-21-19(23)25/h4-5,8-9,15,20H,2-3,6-7,10-14H2,1H3,(H,21,25).
What are the key properties of 1-[1-[2-(butylamino)benzoyl]piperidin-3-yl]imidazolidin-2-one?
1-[1-[2-(butylamino)benzoyl]piperidin-3-yl]imidazolidin-2-one has a molecular weight of 344.46 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(butylamino)benzoyl]piperidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 84594683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).