(3S)-N-ethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-N-(pyridin-4-ylmethyl)piperidin-3-amine

C18H27N5O — CID 95726941

IUPAC(3S)-N-ethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-N-(pyridin-4-ylmethyl)piperidin-3-amine
SMILESCCN(Cc1ccncc1)[C@H]1CCCN(c2noc(C(C)C)n2)C1
InChIInChI=1S/C18H27N5O/c1-4-22(12-15-7-9-19-10-8-15)16-6-5-11-23(13-16)18-20-17(14(2)3)24-21-18/h7-10,14,16H,4-6,11-13H2,1-3H3/t16-/m0/s1
InChIKeyXPVDKDWLFITOFX-INIZCTEOSA-N
MW329.45 g/mol
LogP3.08
Rot. Bonds6

About (3S)-N-ethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-N-(pyridin-4-ylmethyl)piperidin-3-amine

(3S)-N-ethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-N-(pyridin-4-ylmethyl)piperidin-3-amine (PubChem CID 95726941) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is (3S)-N-ethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-N-(pyridin-4-ylmethyl)piperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-ethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-N-(pyridin-4-ylmethyl)piperidin-3-amine
PubChem CID95726941
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name(3S)-N-ethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-N-(pyridin-4-ylmethyl)piperidin-3-amine
SMILESCCN(Cc1ccncc1)[C@H]1CCCN(c2noc(C(C)C)n2)C1
InChIInChI=1S/C18H27N5O/c1-4-22(12-15-7-9-19-10-8-15)16-6-5-11-23(13-16)18-20-17(14(2)3)24-21-18/h7-10,14,16H,4-6,11-13H2,1-3H3/t16-/m0/s1
InChIKeyXPVDKDWLFITOFX-INIZCTEOSA-N
XLogP3.08
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[ethyl(pyridin-4-ylmethyl)amino]-N,N-dimethylpiperidine-1-sulfonamide
CID 45215887
N-cyclohexyl-3-[ethyl(pyridin-4-ylmethyl)amino]piperidine-1-carboxamide
CID 45236422
1-N-ethyl-1-N-(pyridin-4-ylmethyl)cyclohexane-1,3-diamine
CID 79468184
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]ethanone
CID 56901600
(3S)-N-ethyl-1-[(2-methoxynaphthalen-1-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine
CID 29088331
N-ethyl-1-[(3-methyl-1-propylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)piperidin-3-amine
CID 45190430
methyl 4-[[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]methyl]benzoate
CID 45199818
1-[(3-ethoxy-4-methoxyphenyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-3-amine
CID 45173407
1-[(3-cyclohexylpyrazolidin-4-yl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)piperidin-3-amine
CID 75100634
trans-(1R,2R)-2-[ethyl(pyridin-4-ylmethyl)amino]cyclopentan-1-ol
CID 102734522
(5-cyclopropyl-1H-pyrazol-3-yl)-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]methanone
CID 56919120
N-ethyl-N-(pyridin-4-ylmethyl)azetidin-3-amine;trihydrochloride
CID 146064325

Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-N-(pyridin-4-ylmethyl)piperidin-3-amine?
The IUPAC name of (3S)-N-ethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-N-(pyridin-4-ylmethyl)piperidin-3-amine (CID 95726941) is (3S)-N-ethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-N-(pyridin-4-ylmethyl)piperidin-3-amine.
What is the SMILES notation for (3S)-N-ethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-N-(pyridin-4-ylmethyl)piperidin-3-amine?
The canonical SMILES for (3S)-N-ethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-N-(pyridin-4-ylmethyl)piperidin-3-amine is CCN(Cc1ccncc1)[C@H]1CCCN(c2noc(C(C)C)n2)C1.
What is the InChIKey of (3S)-N-ethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-N-(pyridin-4-ylmethyl)piperidin-3-amine?
The InChIKey is XPVDKDWLFITOFX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H27N5O/c1-4-22(12-15-7-9-19-10-8-15)16-6-5-11-23(13-16)18-20-17(14(2)3)24-21-18/h7-10,14,16H,4-6,11-13H2,1-3H3/t16-/m0/s1.
What are the key properties of (3S)-N-ethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-N-(pyridin-4-ylmethyl)piperidin-3-amine?
(3S)-N-ethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-N-(pyridin-4-ylmethyl)piperidin-3-amine has a molecular weight of 329.45 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-ethyl-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-N-(pyridin-4-ylmethyl)piperidin-3-amine is sourced from PubChem (CID 95726941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).