4-(3-methoxycyclobutyl)oxy-2-[(2R)-2-(3-piperidin-4-yloxycyclobutyl)oxypropyl]piperidine

C22H40N2O4 — CID 165136951

IUPAC4-(3-methoxycyclobutyl)oxy-2-[(2R)-2-(3-piperidin-4-yloxycyclobutyl)oxypropyl]piperidine
SMILESCOC1CC(OC2CCNC(C[C@@H](C)OC3CC(OC4CCNCC4)C3)C2)C1
InChIInChI=1S/C22H40N2O4/c1-15(26-20-13-22(14-20)27-17-3-6-23-7-4-17)9-16-10-18(5-8-24-16)28-21-11-19(12-21)25-2/h15-24H,3-14H2,1-2H3/t15-,16?,18?,19?,20?,21?,22?/m1/s1
InChIKeyXDAVXCRZPZHQSA-UBSTYODESA-N
MW396.57 g/mol
LogP2.40
Rot. Bonds9

About 4-(3-methoxycyclobutyl)oxy-2-[(2R)-2-(3-piperidin-4-yloxycyclobutyl)oxypropyl]piperidine

4-(3-methoxycyclobutyl)oxy-2-[(2R)-2-(3-piperidin-4-yloxycyclobutyl)oxypropyl]piperidine (PubChem CID 165136951) has the molecular formula C22H40N2O4 and a molecular weight of 396.57 g/mol. Its IUPAC name is 4-(3-methoxycyclobutyl)oxy-2-[(2R)-2-(3-piperidin-4-yloxycyclobutyl)oxypropyl]piperidine.

Molecular Properties

Compound Name4-(3-methoxycyclobutyl)oxy-2-[(2R)-2-(3-piperidin-4-yloxycyclobutyl)oxypropyl]piperidine
PubChem CID165136951
Molecular FormulaC22H40N2O4
Molecular Weight396.57 g/mol
Exact Mass396.30
IUPAC Name4-(3-methoxycyclobutyl)oxy-2-[(2R)-2-(3-piperidin-4-yloxycyclobutyl)oxypropyl]piperidine
SMILESCOC1CC(OC2CCNC(C[C@@H](C)OC3CC(OC4CCNCC4)C3)C2)C1
InChIInChI=1S/C22H40N2O4/c1-15(26-20-13-22(14-20)27-17-3-6-23-7-4-17)9-16-10-18(5-8-24-16)28-21-11-19(12-21)25-2/h15-24H,3-14H2,1-2H3/t15-,16?,18?,19?,20?,21?,22?/m1/s1
InChIKeyXDAVXCRZPZHQSA-UBSTYODESA-N
XLogP2.40
TPSA60.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.57
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxycyclobutyl)oxy-2-[(2R)-2-(3-piperidin-4-yloxycyclobutyl)oxypropyl]piperidine?
The IUPAC name of 4-(3-methoxycyclobutyl)oxy-2-[(2R)-2-(3-piperidin-4-yloxycyclobutyl)oxypropyl]piperidine (CID 165136951) is 4-(3-methoxycyclobutyl)oxy-2-[(2R)-2-(3-piperidin-4-yloxycyclobutyl)oxypropyl]piperidine.
What is the SMILES notation for 4-(3-methoxycyclobutyl)oxy-2-[(2R)-2-(3-piperidin-4-yloxycyclobutyl)oxypropyl]piperidine?
The canonical SMILES for 4-(3-methoxycyclobutyl)oxy-2-[(2R)-2-(3-piperidin-4-yloxycyclobutyl)oxypropyl]piperidine is COC1CC(OC2CCNC(C[C@@H](C)OC3CC(OC4CCNCC4)C3)C2)C1.
What is the InChIKey of 4-(3-methoxycyclobutyl)oxy-2-[(2R)-2-(3-piperidin-4-yloxycyclobutyl)oxypropyl]piperidine?
The InChIKey is XDAVXCRZPZHQSA-UBSTYODESA-N. The full InChI is InChI=1S/C22H40N2O4/c1-15(26-20-13-22(14-20)27-17-3-6-23-7-4-17)9-16-10-18(5-8-24-16)28-21-11-19(12-21)25-2/h15-24H,3-14H2,1-2H3/t15-,16?,18?,19?,20?,21?,22?/m1/s1.
What are the key properties of 4-(3-methoxycyclobutyl)oxy-2-[(2R)-2-(3-piperidin-4-yloxycyclobutyl)oxypropyl]piperidine?
4-(3-methoxycyclobutyl)oxy-2-[(2R)-2-(3-piperidin-4-yloxycyclobutyl)oxypropyl]piperidine has a molecular weight of 396.57 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxycyclobutyl)oxy-2-[(2R)-2-(3-piperidin-4-yloxycyclobutyl)oxypropyl]piperidine is sourced from PubChem (CID 165136951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).