10-(2-piperidin-4-ylethyl)-3-propan-2-yl-7-oxa-3,10-diazaspiro[5.6]dodecane

C19H37N3O — CID 155702623

IUPAC10-(2-piperidin-4-ylethyl)-3-propan-2-yl-7-oxa-3,10-diazaspiro[5.6]dodecane
SMILESCC(C)N1CCC2(CCN(CCC3CCNCC3)CCO2)CC1
InChIInChI=1S/C19H37N3O/c1-17(2)22-13-7-19(8-14-22)6-12-21(15-16-23-19)11-5-18-3-9-20-10-4-18/h17-18,20H,3-16H2,1-2H3
InChIKeyYHZSKANJUHZVGY-UHFFFAOYSA-N
MW323.53 g/mol
LogP2.34
Rot. Bonds4

About 10-(2-piperidin-4-ylethyl)-3-propan-2-yl-7-oxa-3,10-diazaspiro[5.6]dodecane

10-(2-piperidin-4-ylethyl)-3-propan-2-yl-7-oxa-3,10-diazaspiro[5.6]dodecane (PubChem CID 155702623) has the molecular formula C19H37N3O and a molecular weight of 323.53 g/mol. Its IUPAC name is 10-(2-piperidin-4-ylethyl)-3-propan-2-yl-7-oxa-3,10-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name10-(2-piperidin-4-ylethyl)-3-propan-2-yl-7-oxa-3,10-diazaspiro[5.6]dodecane
PubChem CID155702623
Molecular FormulaC19H37N3O
Molecular Weight323.53 g/mol
Exact Mass323.29
IUPAC Name10-(2-piperidin-4-ylethyl)-3-propan-2-yl-7-oxa-3,10-diazaspiro[5.6]dodecane
SMILESCC(C)N1CCC2(CCN(CCC3CCNCC3)CCO2)CC1
InChIInChI=1S/C19H37N3O/c1-17(2)22-13-7-19(8-14-22)6-12-21(15-16-23-19)11-5-18-3-9-20-10-4-18/h17-18,20H,3-16H2,1-2H3
InChIKeyYHZSKANJUHZVGY-UHFFFAOYSA-N
XLogP2.34
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 10-(2-piperidin-4-ylethyl)-3-propan-2-yl-7-oxa-3,10-diazaspiro[5.6]dodecane with MolForge

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Related Compounds

1-(2-piperidin-4-ylethyl)-4-propan-2-ylpiperazine
CID 43585327
3-propan-2-yl-10-[(1-propan-2-ylpiperidin-4-yl)methyl]-7-oxa-3,10-diazaspiro[5.6]dodecane
CID 155702508
4,4-dimethyl-1-(2-piperidin-4-ylethyl)piperidine
CID 62937944
8-propan-2-yl-5-oxa-8-azaspiro[3.6]decane
CID 167444220
4-propan-2-yl-9-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-oxa-4,9-diazacycloundecane
CID 155184385
2-methyl-8-(2-piperidin-4-ylethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 166113679
4-[2-(1-methylpiperidin-4-yl)ethyl]-9-propan-2-yl-1-oxa-4,9-diazacycloundecane
CID 167088937
4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine
CID 158397131
(3R)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-3-amine
CID 176563534
3-propan-2-yl-3,9-diazaspiro[5.5]undecane;4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine
CID 167602372
ethane;9-propan-2-yl-1-oxa-9-azaspiro[4.6]undecane
CID 158051450
4-propan-2-yl-1-[2-[(3R)-pyrrolidin-3-yl]ethyl]piperidine
CID 166490061

Frequently Asked Questions

What is the IUPAC name of 10-(2-piperidin-4-ylethyl)-3-propan-2-yl-7-oxa-3,10-diazaspiro[5.6]dodecane?
The IUPAC name of 10-(2-piperidin-4-ylethyl)-3-propan-2-yl-7-oxa-3,10-diazaspiro[5.6]dodecane (CID 155702623) is 10-(2-piperidin-4-ylethyl)-3-propan-2-yl-7-oxa-3,10-diazaspiro[5.6]dodecane.
What is the SMILES notation for 10-(2-piperidin-4-ylethyl)-3-propan-2-yl-7-oxa-3,10-diazaspiro[5.6]dodecane?
The canonical SMILES for 10-(2-piperidin-4-ylethyl)-3-propan-2-yl-7-oxa-3,10-diazaspiro[5.6]dodecane is CC(C)N1CCC2(CCN(CCC3CCNCC3)CCO2)CC1.
What is the InChIKey of 10-(2-piperidin-4-ylethyl)-3-propan-2-yl-7-oxa-3,10-diazaspiro[5.6]dodecane?
The InChIKey is YHZSKANJUHZVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O/c1-17(2)22-13-7-19(8-14-22)6-12-21(15-16-23-19)11-5-18-3-9-20-10-4-18/h17-18,20H,3-16H2,1-2H3.
What are the key properties of 10-(2-piperidin-4-ylethyl)-3-propan-2-yl-7-oxa-3,10-diazaspiro[5.6]dodecane?
10-(2-piperidin-4-ylethyl)-3-propan-2-yl-7-oxa-3,10-diazaspiro[5.6]dodecane has a molecular weight of 323.53 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-piperidin-4-ylethyl)-3-propan-2-yl-7-oxa-3,10-diazaspiro[5.6]dodecane is sourced from PubChem (CID 155702623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).