2,2-dimethylpropyl 4-[2-[2-(piperidin-4-ylmethoxy)ethyl]cyclopropyl]piperidine-1-carboxylate

C22H40N2O3 — CID 123941695

IUPAC2,2-dimethylpropyl 4-[2-[2-(piperidin-4-ylmethoxy)ethyl]cyclopropyl]piperidine-1-carboxylate
SMILESCC(C)(C)COC(=O)N1CCC(C2CC2CCOCC2CCNCC2)CC1
InChIInChI=1S/C22H40N2O3/c1-22(2,3)16-27-21(25)24-11-6-18(7-12-24)20-14-19(20)8-13-26-15-17-4-9-23-10-5-17/h17-20,23H,4-16H2,1-3H3
InChIKeyOKSFFAQCBPFSOP-UHFFFAOYSA-N
MW380.57 g/mol
LogP3.92
Rot. Bonds7

About 2,2-dimethylpropyl 4-[2-[2-(piperidin-4-ylmethoxy)ethyl]cyclopropyl]piperidine-1-carboxylate

2,2-dimethylpropyl 4-[2-[2-(piperidin-4-ylmethoxy)ethyl]cyclopropyl]piperidine-1-carboxylate (PubChem CID 123941695) has the molecular formula C22H40N2O3 and a molecular weight of 380.57 g/mol. Its IUPAC name is 2,2-dimethylpropyl 4-[2-[2-(piperidin-4-ylmethoxy)ethyl]cyclopropyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name2,2-dimethylpropyl 4-[2-[2-(piperidin-4-ylmethoxy)ethyl]cyclopropyl]piperidine-1-carboxylate
PubChem CID123941695
Molecular FormulaC22H40N2O3
Molecular Weight380.57 g/mol
Exact Mass380.30
IUPAC Name2,2-dimethylpropyl 4-[2-[2-(piperidin-4-ylmethoxy)ethyl]cyclopropyl]piperidine-1-carboxylate
SMILESCC(C)(C)COC(=O)N1CCC(C2CC2CCOCC2CCNCC2)CC1
InChIInChI=1S/C22H40N2O3/c1-22(2,3)16-27-21(25)24-11-6-18(7-12-24)20-14-19(20)8-13-26-15-17-4-9-23-10-5-17/h17-20,23H,4-16H2,1-3H3
InChIKeyOKSFFAQCBPFSOP-UHFFFAOYSA-N
XLogP3.92
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.57
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-1-[4-[2-(2-piperidin-4-ylcyclopropyl)ethoxy]piperidin-1-yl]propan-1-one
CID 123671696
1-[4-[2-(2-Piperidin-4-ylcyclopropyl)ethoxy]piperidin-1-yl]propan-1-one
CID 123680259
2,2-Dimethylpropyl 4-[2-[2-[(1-ethylsulfanylpiperidin-4-yl)methoxy]ethyl]cyclopropyl]piperidine-1-carboxylate
CID 126694173
[1-(4-Ethylpiperidin-3-yl)-2-methylpropan-2-yl] 4-ethylpiperidine-1-carboxylate
CID 137465313
Cyclooctylmethyl 4-piperidin-4-ylpiperidine-1-carboxylate
CID 141944580
1-[4-[2-[(1S,2R)-2-piperidin-4-ylcyclopropyl]ethoxy]piperidin-1-yl]propan-1-one
CID 145554433
tert-butyl 4-[[(1R,2R)-2-methylcyclopropyl]amino]-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 146475899
(2-Methyl-5-piperidin-4-ylhexan-2-yl) 4-propan-2-ylpiperidine-1-carboxylate
CID 146609538
Butyl 4-(2-piperidin-4-ylethyl)piperidine-1-carboxylate
CID 151391297
(2-Methyl-5-piperidin-3-ylhexan-2-yl) 4-propan-2-ylpiperidine-1-carboxylate
CID 166787892
Ethyl 2-tert-butyl-4-(4-oxa-7-azaspiro[2.5]octan-5-yl)piperidine-1-carboxylate
CID 175699112
Tert-butyl 2-(3-piperidin-4-ylpropyl)morpholine-4-carboxylate
CID 177321217

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl 4-[2-[2-(piperidin-4-ylmethoxy)ethyl]cyclopropyl]piperidine-1-carboxylate?
The IUPAC name of 2,2-dimethylpropyl 4-[2-[2-(piperidin-4-ylmethoxy)ethyl]cyclopropyl]piperidine-1-carboxylate (CID 123941695) is 2,2-dimethylpropyl 4-[2-[2-(piperidin-4-ylmethoxy)ethyl]cyclopropyl]piperidine-1-carboxylate.
What is the SMILES notation for 2,2-dimethylpropyl 4-[2-[2-(piperidin-4-ylmethoxy)ethyl]cyclopropyl]piperidine-1-carboxylate?
The canonical SMILES for 2,2-dimethylpropyl 4-[2-[2-(piperidin-4-ylmethoxy)ethyl]cyclopropyl]piperidine-1-carboxylate is CC(C)(C)COC(=O)N1CCC(C2CC2CCOCC2CCNCC2)CC1.
What is the InChIKey of 2,2-dimethylpropyl 4-[2-[2-(piperidin-4-ylmethoxy)ethyl]cyclopropyl]piperidine-1-carboxylate?
The InChIKey is OKSFFAQCBPFSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O3/c1-22(2,3)16-27-21(25)24-11-6-18(7-12-24)20-14-19(20)8-13-26-15-17-4-9-23-10-5-17/h17-20,23H,4-16H2,1-3H3.
What are the key properties of 2,2-dimethylpropyl 4-[2-[2-(piperidin-4-ylmethoxy)ethyl]cyclopropyl]piperidine-1-carboxylate?
2,2-dimethylpropyl 4-[2-[2-(piperidin-4-ylmethoxy)ethyl]cyclopropyl]piperidine-1-carboxylate has a molecular weight of 380.57 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl 4-[2-[2-(piperidin-4-ylmethoxy)ethyl]cyclopropyl]piperidine-1-carboxylate is sourced from PubChem (CID 123941695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).