1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one

C23H42N4O2 — CID 42881405

IUPAC1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one
SMILESCCN1CCN(C(=O)C2CCN(C3CCN(C(=O)CC(C)(C)C)CC3)CC2)CC1
InChIInChI=1S/C23H42N4O2/c1-5-24-14-16-27(17-15-24)22(29)19-6-10-25(11-7-19)20-8-12-26(13-9-20)21(28)18-23(2,3)4/h19-20H,5-18H2,1-4H3
InChIKeyNNIXANBQXHFZJT-UHFFFAOYSA-N
MW406.62 g/mol
LogP2.29
Rot. Bonds4

About 1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one

1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one (PubChem CID 42881405) has the molecular formula C23H42N4O2 and a molecular weight of 406.62 g/mol. Its IUPAC name is 1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one
PubChem CID42881405
Molecular FormulaC23H42N4O2
Molecular Weight406.62 g/mol
Exact Mass406.33
IUPAC Name1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one
SMILESCCN1CCN(C(=O)C2CCN(C3CCN(C(=O)CC(C)(C)C)CC3)CC2)CC1
InChIInChI=1S/C23H42N4O2/c1-5-24-14-16-27(17-15-24)22(29)19-6-10-25(11-7-19)20-8-12-26(13-9-20)21(28)18-23(2,3)4/h19-20H,5-18H2,1-4H3
InChIKeyNNIXANBQXHFZJT-UHFFFAOYSA-N
XLogP2.29
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.62
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one with MolForge

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Related Compounds

3,3-dimethyl-1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
CID 42881246
[1-[1-(4-tert-butylbenzoyl)piperidin-4-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42881411
1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 42881406
(4-ethylpiperazin-1-yl)-[1-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidin-4-yl]methanone
CID 42881412
[1-[1-(3-bromobenzoyl)piperidin-4-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42881418
[1-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42881394
1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
CID 42693440
3-methyl-1-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
CID 42693420
1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 70906866
3-amino-1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one
CID 64685940
3-(4-ethylpiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one
CID 167027277
ethyl 4-[4-(cyclopropanecarbonyl)piperazin-1-yl]piperidine-1-carboxylate
CID 113074649

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of 1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one (CID 42881405) is 1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one is CCN1CCN(C(=O)C2CCN(C3CCN(C(=O)CC(C)(C)C)CC3)CC2)CC1.
What is the InChIKey of 1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one?
The InChIKey is NNIXANBQXHFZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N4O2/c1-5-24-14-16-27(17-15-24)22(29)19-6-10-25(11-7-19)20-8-12-26(13-9-20)21(28)18-23(2,3)4/h19-20H,5-18H2,1-4H3.
What are the key properties of 1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one?
1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one has a molecular weight of 406.62 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 42881405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).