1-[4-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]piperidin-1-yl]ethanone

C22H33N3O2 — CID 45235641

IUPAC1-[4-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCCC(Nc3ccc(C(C)C)cc3)C2)CC1
InChIInChI=1S/C22H33N3O2/c1-16(2)18-6-8-20(9-7-18)23-21-5-4-12-25(15-21)22(27)19-10-13-24(14-11-19)17(3)26/h6-9,16,19,21,23H,4-5,10-15H2,1-3H3
InChIKeyNEOKQFLMVHLABJ-UHFFFAOYSA-N
MW371.52 g/mol
LogP3.47
Rot. Bonds4

About 1-[4-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]piperidin-1-yl]ethanone

1-[4-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 45235641) has the molecular formula C22H33N3O2 and a molecular weight of 371.52 g/mol. Its IUPAC name is 1-[4-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID45235641
Molecular FormulaC22H33N3O2
Molecular Weight371.52 g/mol
Exact Mass371.26
IUPAC Name1-[4-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCCC(Nc3ccc(C(C)C)cc3)C2)CC1
InChIInChI=1S/C22H33N3O2/c1-16(2)18-6-8-20(9-7-18)23-21-5-4-12-25(15-21)22(27)19-10-13-24(14-11-19)17(3)26/h6-9,16,19,21,23H,4-5,10-15H2,1-3H3
InChIKeyNEOKQFLMVHLABJ-UHFFFAOYSA-N
XLogP3.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-methylsulfanyl-1-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethanone
CID 45190494
1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-2-sulfanylethanone
CID 146483126
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 42119873
4-(3-anilinopiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 45219648
methyl 4-[(3R)-3-(4-propan-2-ylanilino)piperidine-1-carbonyl]benzoate
CID 25275922
[3-(4-propan-2-ylanilino)piperidin-1-yl]-pyridin-3-ylmethanone
CID 24817805
1-[3-(4-propan-2-ylanilino)piperidin-1-yl]pent-4-en-1-one
CID 45245914
[(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]-thiophen-3-ylmethanone
CID 26392166
ethyl 2-[[(3S)-3-(4-propan-2-ylanilino)piperidine-1-carbonyl]amino]acetate
CID 42193925
methyl 6-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyridine-3-carboxylate
CID 24792970
cyclopentyl-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone
CID 24792136
cyclopropyl-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]methanone
CID 25455171

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]piperidin-1-yl]ethanone (CID 45235641) is 1-[4-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2CCCC(Nc3ccc(C(C)C)cc3)C2)CC1.
What is the InChIKey of 1-[4-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is NEOKQFLMVHLABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-16(2)18-6-8-20(9-7-18)23-21-5-4-12-25(15-21)22(27)19-10-13-24(14-11-19)17(3)26/h6-9,16,19,21,23H,4-5,10-15H2,1-3H3.
What are the key properties of 1-[4-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]piperidin-1-yl]ethanone?
1-[4-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 371.52 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 45235641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).