(3R,4S)-3-methyl-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine

C17H25N5O — CID 124864799

IUPAC(3R,4S)-3-methyl-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
SMILESCc1nnc([C@H](C)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)o1
InChIInChI=1S/C17H25N5O/c1-12-10-22(11-15-6-4-5-8-18-15)9-7-16(12)19-13(2)17-21-20-14(3)23-17/h4-6,8,12-13,16,19H,7,9-11H2,1-3H3/t12-,13+,16+/m1/s1
InChIKeyCHCXEZMBUBITAK-WWGRRREGSA-N
MW315.42 g/mol
LogP2.33
Rot. Bonds5

About (3R,4S)-3-methyl-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine

(3R,4S)-3-methyl-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine (PubChem CID 124864799) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is (3R,4S)-3-methyl-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name(3R,4S)-3-methyl-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
PubChem CID124864799
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name(3R,4S)-3-methyl-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
SMILESCc1nnc([C@H](C)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)o1
InChIInChI=1S/C17H25N5O/c1-12-10-22(11-15-6-4-5-8-18-15)9-7-16(12)19-13(2)17-21-20-14(3)23-17/h4-6,8,12-13,16,19H,7,9-11H2,1-3H3/t12-,13+,16+/m1/s1
InChIKeyCHCXEZMBUBITAK-WWGRRREGSA-N
XLogP2.33
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-methyl-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
The IUPAC name of (3R,4S)-3-methyl-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine (CID 124864799) is (3R,4S)-3-methyl-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for (3R,4S)-3-methyl-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for (3R,4S)-3-methyl-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine is Cc1nnc([C@H](C)N[C@H]2CCN(Cc3ccccn3)C[C@H]2C)o1.
What is the InChIKey of (3R,4S)-3-methyl-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
The InChIKey is CHCXEZMBUBITAK-WWGRRREGSA-N. The full InChI is InChI=1S/C17H25N5O/c1-12-10-22(11-15-6-4-5-8-18-15)9-7-16(12)19-13(2)17-21-20-14(3)23-17/h4-6,8,12-13,16,19H,7,9-11H2,1-3H3/t12-,13+,16+/m1/s1.
What are the key properties of (3R,4S)-3-methyl-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
(3R,4S)-3-methyl-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine has a molecular weight of 315.42 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-methyl-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 124864799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).