1-[4-[1-[1-(2-methylpropyl)azetidine-3-carbonyl]piperidin-4-yl]piperidin-1-yl]-2-propan-2-yloxyethanone

C23H41N3O3 — CID 164715642

IUPAC1-[4-[1-[1-(2-methylpropyl)azetidine-3-carbonyl]piperidin-4-yl]piperidin-1-yl]-2-propan-2-yloxyethanone
SMILESCC(C)CN1CC(C(=O)N2CCC(C3CCN(C(=O)COC(C)C)CC3)CC2)C1
InChIInChI=1S/C23H41N3O3/c1-17(2)13-24-14-21(15-24)23(28)26-11-7-20(8-12-26)19-5-9-25(10-6-19)22(27)16-29-18(3)4/h17-21H,5-16H2,1-4H3
InChIKeyRKANWHSVAODOOQ-UHFFFAOYSA-N
MW407.60 g/mol
LogP2.48
Rot. Bonds7

About 1-[4-[1-[1-(2-methylpropyl)azetidine-3-carbonyl]piperidin-4-yl]piperidin-1-yl]-2-propan-2-yloxyethanone

1-[4-[1-[1-(2-methylpropyl)azetidine-3-carbonyl]piperidin-4-yl]piperidin-1-yl]-2-propan-2-yloxyethanone (PubChem CID 164715642) has the molecular formula C23H41N3O3 and a molecular weight of 407.60 g/mol. Its IUPAC name is 1-[4-[1-[1-(2-methylpropyl)azetidine-3-carbonyl]piperidin-4-yl]piperidin-1-yl]-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-[4-[1-[1-(2-methylpropyl)azetidine-3-carbonyl]piperidin-4-yl]piperidin-1-yl]-2-propan-2-yloxyethanone
PubChem CID164715642
Molecular FormulaC23H41N3O3
Molecular Weight407.60 g/mol
Exact Mass407.31
IUPAC Name1-[4-[1-[1-(2-methylpropyl)azetidine-3-carbonyl]piperidin-4-yl]piperidin-1-yl]-2-propan-2-yloxyethanone
SMILESCC(C)CN1CC(C(=O)N2CCC(C3CCN(C(=O)COC(C)C)CC3)CC2)C1
InChIInChI=1S/C23H41N3O3/c1-17(2)13-24-14-21(15-24)23(28)26-11-7-20(8-12-26)19-5-9-25(10-6-19)22(27)16-29-18(3)4/h17-21H,5-16H2,1-4H3
InChIKeyRKANWHSVAODOOQ-UHFFFAOYSA-N
XLogP2.48
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.60
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[1-[1-(2-methylpropyl)azetidine-3-carbonyl]piperidin-4-yl]piperidin-1-yl]-2-propan-2-yloxyethanone with MolForge

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Related Compounds

1-(4-bromopiperidin-1-yl)-2-propan-2-yloxyethanone
CID 112603986
ethane;2-ethoxy-1-[4-[1-(1-propylazetidine-3-carbonyl)piperidin-4-yl]piperidin-1-yl]ethanone
CID 166466914
1-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]-3-(2-propan-2-yloxyethoxy)propan-1-one
CID 154671447
1-(4-ethylsulfonylpiperazin-1-yl)-2-propan-2-yloxyethanone
CID 46199859
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112701498
1-[4-(2-aminoethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112603420
1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 178115862
1-(3-chloropiperidin-1-yl)-2-propan-2-yloxyethanone
CID 112603948
3-(2-methoxyethoxy)-1-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 170230954
2-propan-2-yloxy-1-[4-(4-propan-2-yloxybutyl)piperidin-1-yl]ethanone
CID 167478681
[4-(1-methylpiperidin-4-yl)cyclohexyl]-[4-(2-methylpropyl)piperidin-1-yl]methanone
CID 167480031
3-methyl-1-[4-[[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]methyl]piperidin-1-yl]butan-2-one
CID 172604985

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[1-(2-methylpropyl)azetidine-3-carbonyl]piperidin-4-yl]piperidin-1-yl]-2-propan-2-yloxyethanone?
The IUPAC name of 1-[4-[1-[1-(2-methylpropyl)azetidine-3-carbonyl]piperidin-4-yl]piperidin-1-yl]-2-propan-2-yloxyethanone (CID 164715642) is 1-[4-[1-[1-(2-methylpropyl)azetidine-3-carbonyl]piperidin-4-yl]piperidin-1-yl]-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-[4-[1-[1-(2-methylpropyl)azetidine-3-carbonyl]piperidin-4-yl]piperidin-1-yl]-2-propan-2-yloxyethanone?
The canonical SMILES for 1-[4-[1-[1-(2-methylpropyl)azetidine-3-carbonyl]piperidin-4-yl]piperidin-1-yl]-2-propan-2-yloxyethanone is CC(C)CN1CC(C(=O)N2CCC(C3CCN(C(=O)COC(C)C)CC3)CC2)C1.
What is the InChIKey of 1-[4-[1-[1-(2-methylpropyl)azetidine-3-carbonyl]piperidin-4-yl]piperidin-1-yl]-2-propan-2-yloxyethanone?
The InChIKey is RKANWHSVAODOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N3O3/c1-17(2)13-24-14-21(15-24)23(28)26-11-7-20(8-12-26)19-5-9-25(10-6-19)22(27)16-29-18(3)4/h17-21H,5-16H2,1-4H3.
What are the key properties of 1-[4-[1-[1-(2-methylpropyl)azetidine-3-carbonyl]piperidin-4-yl]piperidin-1-yl]-2-propan-2-yloxyethanone?
1-[4-[1-[1-(2-methylpropyl)azetidine-3-carbonyl]piperidin-4-yl]piperidin-1-yl]-2-propan-2-yloxyethanone has a molecular weight of 407.60 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[1-(2-methylpropyl)azetidine-3-carbonyl]piperidin-4-yl]piperidin-1-yl]-2-propan-2-yloxyethanone is sourced from PubChem (CID 164715642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).