1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine

C17H29N5O2 — CID 124623738

IUPAC1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine
SMILESC[C@H](c1nnnn1C1CC1)N1CCC(OC[C@H]2CCCCO2)CC1
InChIInChI=1S/C17H29N5O2/c1-13(17-18-19-20-22(17)14-5-6-14)21-9-7-15(8-10-21)24-12-16-4-2-3-11-23-16/h13-16H,2-12H2,1H3/t13-,16-/m1/s1
InChIKeyCIOZFQXCPYEKNL-CZUORRHYSA-N
MW335.45 g/mol
LogP2.12
Rot. Bonds6

About 1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine

1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine (PubChem CID 124623738) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine.

Molecular Properties

Compound Name1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine
PubChem CID124623738
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine
SMILESC[C@H](c1nnnn1C1CC1)N1CCC(OC[C@H]2CCCCO2)CC1
InChIInChI=1S/C17H29N5O2/c1-13(17-18-19-20-22(17)14-5-6-14)21-9-7-15(8-10-21)24-12-16-4-2-3-11-23-16/h13-16H,2-12H2,1H3/t13-,16-/m1/s1
InChIKeyCIOZFQXCPYEKNL-CZUORRHYSA-N
XLogP2.12
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine with MolForge

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Related Compounds

1-[(1S)-1-(3-methoxyphenyl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine
CID 96558685
methyl (2S)-2-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]propanoate
CID 124609824
(2S)-4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]-2-(5-methylfuran-2-yl)morpholine
CID 100673992
3-methyl-6-[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 97009492
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 86826034
4-[[(2R)-1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperidin-2-yl]methyl]morpholine
CID 124623713
3-(2-methylpropyl)-5-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-1,2,4-thiadiazole
CID 133485848
2-[(2R)-4-[(1S)-1-(1-cyclohexyltetrazol-5-yl)ethyl]-2-methylpiperazin-1-yl]ethanol
CID 124864640
1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119815515
1-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane
CID 124623662
N-cyclohexyl-2-[4-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]piperazin-1-yl]-N-methylacetamide
CID 129401911
1-[1-(oxan-2-ylmethyl)tetrazol-5-yl]ethanamine
CID 103085687

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine?
The IUPAC name of 1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine (CID 124623738) is 1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine.
What is the SMILES notation for 1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine?
The canonical SMILES for 1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine is C[C@H](c1nnnn1C1CC1)N1CCC(OC[C@H]2CCCCO2)CC1.
What is the InChIKey of 1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine?
The InChIKey is CIOZFQXCPYEKNL-CZUORRHYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-13(17-18-19-20-22(17)14-5-6-14)21-9-7-15(8-10-21)24-12-16-4-2-3-11-23-16/h13-16H,2-12H2,1H3/t13-,16-/m1/s1.
What are the key properties of 1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine?
1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine has a molecular weight of 335.45 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine is sourced from PubChem (CID 124623738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).