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

C18H25N5O — CID 86818582

IUPACN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-amine
SMILESCC1CN(Cc2ccccn2)CCC1NCc1nc(C2CC2)no1
InChIInChI=1S/C18H25N5O/c1-13-11-23(12-15-4-2-3-8-19-15)9-7-16(13)20-10-17-21-18(22-24-17)14-5-6-14/h2-4,8,13-14,16,20H,5-7,9-12H2,1H3
InChIKeyGDOKGNDFBLBLNI-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.34
Rot. Bonds6

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

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-amine (PubChem CID 86818582) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-amine
PubChem CID86818582
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-amine
SMILESCC1CN(Cc2ccccn2)CCC1NCc1nc(C2CC2)no1
InChIInChI=1S/C18H25N5O/c1-13-11-23(12-15-4-2-3-8-19-15)9-7-16(13)20-10-17-21-18(22-24-17)14-5-6-14/h2-4,8,13-14,16,20H,5-7,9-12H2,1H3
InChIKeyGDOKGNDFBLBLNI-UHFFFAOYSA-N
XLogP2.34
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-amine with MolForge

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Related Compounds

(3R,4R)-N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 124742358
2-[(1S)-1-[[(3S,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propyl]phenol
CID 99701828
2-[(1S)-1-[[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propyl]phenol
CID 99701830
methyl 1-[[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]cyclohexane-1-carboxylate
CID 91653500
1-[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-phenylurea
CID 95629029
2-[[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]pyridine-3-carbonitrile
CID 95980423
(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
2-[(3-bromo-4-methylpiperidin-1-yl)methyl]pyridine
CID 102960286
6-ethoxy-N-[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 124735936
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-4-amine;hydrochloride
CID 119925264
methyl 4-[[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidine-1-carboxylate
CID 124732005
(3R)-N-[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 125146131

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-amine?
The IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-amine (CID 86818582) is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-amine is CC1CN(Cc2ccccn2)CCC1NCc1nc(C2CC2)no1.
What is the InChIKey of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-amine?
The InChIKey is GDOKGNDFBLBLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-13-11-23(12-15-4-2-3-8-19-15)9-7-16(13)20-10-17-21-18(22-24-17)14-5-6-14/h2-4,8,13-14,16,20H,5-7,9-12H2,1H3.
What are the key properties of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-amine?
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-amine has a molecular weight of 327.43 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 86818582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).