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

C17H25N5O — CID 97074219

IUPAC(3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-pyridin-4-ylethyl)piperidin-3-amine
SMILESCc1nc(CN2CCC[C@H](N(C)CCc3ccncc3)C2)no1
InChIInChI=1S/C17H25N5O/c1-14-19-17(20-23-14)13-22-10-3-4-16(12-22)21(2)11-7-15-5-8-18-9-6-15/h5-6,8-9,16H,3-4,7,10-13H2,1-2H3/t16-/m0/s1
InChIKeyIGWAROORDBMRBT-INIZCTEOSA-N
MW315.42 g/mol
LogP1.91
Rot. Bonds6

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

(3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-pyridin-4-ylethyl)piperidin-3-amine (PubChem CID 97074219) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is (3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-pyridin-4-ylethyl)piperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-pyridin-4-ylethyl)piperidin-3-amine
PubChem CID97074219
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name(3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-pyridin-4-ylethyl)piperidin-3-amine
SMILESCc1nc(CN2CCC[C@H](N(C)CCc3ccncc3)C2)no1
InChIInChI=1S/C17H25N5O/c1-14-19-17(20-23-14)13-22-10-3-4-16(12-22)21(2)11-7-15-5-8-18-9-6-15/h5-6,8-9,16H,3-4,7,10-13H2,1-2H3/t16-/m0/s1
InChIKeyIGWAROORDBMRBT-INIZCTEOSA-N
XLogP1.91
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylsulfonylethyl)piperidin-3-amine
CID 95610360
3-[methyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]propane-1-sulfonamide
CID 154747968
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 56802392
2-[methyl-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 95599853
4-fluoro-3-[[methyl-[(3R)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]benzonitrile
CID 95606335
N-methyl-N-(2-phenylethyl)-1-(thiophen-2-ylmethyl)piperidin-3-amine
CID 45189224
N-methyl-1-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine
CID 45228567
(3S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-amine
CID 95978626
N-methyl-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine
CID 61205541
3-[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-methylamino]propane-1-sulfonamide
CID 95614070
(3S)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-pyridin-4-ylethyl)pyrrolidin-3-amine
CID 97217440
N,1-dimethyl-N-[(3S)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrazolo[5,4-d]pyrimidin-4-amine
CID 95599863

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-pyridin-4-ylethyl)piperidin-3-amine?
The IUPAC name of (3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-pyridin-4-ylethyl)piperidin-3-amine (CID 97074219) is (3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-pyridin-4-ylethyl)piperidin-3-amine.
What is the SMILES notation for (3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-pyridin-4-ylethyl)piperidin-3-amine?
The canonical SMILES for (3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-pyridin-4-ylethyl)piperidin-3-amine is Cc1nc(CN2CCC[C@H](N(C)CCc3ccncc3)C2)no1.
What is the InChIKey of (3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-pyridin-4-ylethyl)piperidin-3-amine?
The InChIKey is IGWAROORDBMRBT-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25N5O/c1-14-19-17(20-23-14)13-22-10-3-4-16(12-22)21(2)11-7-15-5-8-18-9-6-15/h5-6,8-9,16H,3-4,7,10-13H2,1-2H3/t16-/m0/s1.
What are the key properties of (3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-pyridin-4-ylethyl)piperidin-3-amine?
(3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-pyridin-4-ylethyl)piperidin-3-amine has a molecular weight of 315.42 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-pyridin-4-ylethyl)piperidin-3-amine is sourced from PubChem (CID 97074219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).