1-[1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one

C16H20ClN3O3 — CID 56796821

IUPAC1-[1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one
SMILESO=C1NCCN1C1CCN(Cc2cc(Cl)c3c(c2)OCO3)CC1
InChIInChI=1S/C16H20ClN3O3/c17-13-7-11(8-14-15(13)23-10-22-14)9-19-4-1-12(2-5-19)20-6-3-18-16(20)21/h7-8,12H,1-6,9-10H2,(H,18,21)
InChIKeyIFTPCBIFDQIAQQ-UHFFFAOYSA-N
MW337.81 g/mol
LogP2.06
Rot. Bonds3

About 1-[1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one

1-[1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one (PubChem CID 56796821) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is 1-[1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one
PubChem CID56796821
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name1-[1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one
SMILESO=C1NCCN1C1CCN(Cc2cc(Cl)c3c(c2)OCO3)CC1
InChIInChI=1S/C16H20ClN3O3/c17-13-7-11(8-14-15(13)23-10-22-14)9-19-4-1-12(2-5-19)20-6-3-18-16(20)21/h7-8,12H,1-6,9-10H2,(H,18,21)
InChIKeyIFTPCBIFDQIAQQ-UHFFFAOYSA-N
XLogP2.06
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one with MolForge

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Related Compounds

1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]azetidin-3-amine
CID 65250202
[1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961022
2-[1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]azetidin-3-yl]acetic acid
CID 64616505
1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperidine-2-carbaldehyde
CID 62656619
1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-methylpyrrolidin-3-amine
CID 103576615
1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N-methylpiperidine-4-carboxamide
CID 24580193
1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-1,3-diazinan-2-one
CID 134794985
1-[1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-4-yl]ethanol
CID 103656892
1-[(6-chloro-3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-8-yl)methyl]piperazine
CID 117495717
1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-(3-methylphenyl)piperazine
CID 18124656
1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperazine-2-carbonitrile
CID 79085870
1-[1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 119922474

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one (CID 56796821) is 1-[1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one is O=C1NCCN1C1CCN(Cc2cc(Cl)c3c(c2)OCO3)CC1.
What is the InChIKey of 1-[1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one?
The InChIKey is IFTPCBIFDQIAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3/c17-13-7-11(8-14-15(13)23-10-22-14)9-19-4-1-12(2-5-19)20-6-3-18-16(20)21/h7-8,12H,1-6,9-10H2,(H,18,21).
What are the key properties of 1-[1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one?
1-[1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one has a molecular weight of 337.81 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 56796821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).