1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone

C22H29N3O4 — CID 55630806

IUPAC1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCC(C(=O)N2CCN(C(=O)C3CC3)CC2)CC1
InChIInChI=1S/C22H29N3O4/c26-20(16-29-19-4-2-1-3-5-19)23-10-8-18(9-11-23)22(28)25-14-12-24(13-15-25)21(27)17-6-7-17/h1-5,17-18H,6-16H2
InChIKeyHEJOSGMKPCSFFZ-UHFFFAOYSA-N
MW399.49 g/mol
LogP1.38
Rot. Bonds5

About 1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone

1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone (PubChem CID 55630806) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is 1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
PubChem CID55630806
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCC(C(=O)N2CCN(C(=O)C3CC3)CC2)CC1
InChIInChI=1S/C22H29N3O4/c26-20(16-29-19-4-2-1-3-5-19)23-10-8-18(9-11-23)22(28)25-14-12-24(13-15-25)21(27)17-6-7-17/h1-5,17-18H,6-16H2
InChIKeyHEJOSGMKPCSFFZ-UHFFFAOYSA-N
XLogP1.38
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-(dimethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 60579640
1-[4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 119624305
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
2-[4-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]piperazin-1-yl]sulfonylbenzonitrile
CID 55630194
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
1-[4-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 55635325
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 110364757
1-[4-(4-chlorobenzoyl)piperidin-1-yl]-2-phenoxyethanone
CID 110394316
2-phenoxy-1-[4-(thiophene-2-carbonyl)piperidin-1-yl]ethanone
CID 110394361

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone (CID 55630806) is 1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCC(C(=O)N2CCN(C(=O)C3CC3)CC2)CC1.
What is the InChIKey of 1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is HEJOSGMKPCSFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c26-20(16-29-19-4-2-1-3-5-19)23-10-8-18(9-11-23)22(28)25-14-12-24(13-15-25)21(27)17-6-7-17/h1-5,17-18H,6-16H2.
What are the key properties of 1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone?
1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 399.49 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 55630806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).