1-[4-[4-(dimethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone

C21H31N3O3 — CID 60579640

IUPAC1-[4-[4-(dimethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
SMILESCN(C)C1CCN(C(=O)C2CCN(C(=O)COc3ccccc3)CC2)CC1
InChIInChI=1S/C21H31N3O3/c1-22(2)18-10-14-24(15-11-18)21(26)17-8-12-23(13-9-17)20(25)16-27-19-6-4-3-5-7-19/h3-7,17-18H,8-16H2,1-2H3
InChIKeyQSGAJQJAMBUTER-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.86
Rot. Bonds5

About 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone

1-[4-[4-(dimethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone (PubChem CID 60579640) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-[4-(dimethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
PubChem CID60579640
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name1-[4-[4-(dimethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
SMILESCN(C)C1CCN(C(=O)C2CCN(C(=O)COc3ccccc3)CC2)CC1
InChIInChI=1S/C21H31N3O3/c1-22(2)18-10-14-24(15-11-18)21(26)17-8-12-23(13-9-17)20(25)16-27-19-6-4-3-5-7-19/h3-7,17-18H,8-16H2,1-2H3
InChIKeyQSGAJQJAMBUTER-UHFFFAOYSA-N
XLogP1.86
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 55630806
1-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 119166473
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2-phenoxyethanone
CID 110797836
1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 119624305
N-cyclopropyl-N-(4-methylcyclohexyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55632173
2-[4-(aminomethyl)phenoxy]-1-[4-(dimethylamino)piperidin-1-yl]ethanone
CID 43585625
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
2-(4-ethylphenoxy)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 134026639
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
N-benzyl-N-cyclopropyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55633091
2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119225453
1-(3-methoxypyrrolidin-1-yl)-2-phenoxyethanone
CID 108730501

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone (CID 60579640) is 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone is CN(C)C1CCN(C(=O)C2CCN(C(=O)COc3ccccc3)CC2)CC1.
What is the InChIKey of 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is QSGAJQJAMBUTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-22(2)18-10-14-24(15-11-18)21(26)17-8-12-23(13-9-17)20(25)16-27-19-6-4-3-5-7-19/h3-7,17-18H,8-16H2,1-2H3.
What are the key properties of 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone?
1-[4-[4-(dimethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 373.50 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(dimethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 60579640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).