4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]cyclohexan-1-amine

C19H28N6O — CID 119037395

IUPAC4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]cyclohexan-1-amine
SMILESCc1noc(C2CCC(NCC3CCCN(c4ncccn4)C3)CC2)n1
InChIInChI=1S/C19H28N6O/c1-14-23-18(26-24-14)16-5-7-17(8-6-16)22-12-15-4-2-11-25(13-15)19-20-9-3-10-21-19/h3,9-10,15-17,22H,2,4-8,11-13H2,1H3
InChIKeyVNMHNTOUXTWTGV-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.70
Rot. Bonds5

About 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]cyclohexan-1-amine

4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]cyclohexan-1-amine (PubChem CID 119037395) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]cyclohexan-1-amine
PubChem CID119037395
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]cyclohexan-1-amine
SMILESCc1noc(C2CCC(NCC3CCCN(c4ncccn4)C3)CC2)n1
InChIInChI=1S/C19H28N6O/c1-14-23-18(26-24-14)16-5-7-17(8-6-16)22-12-15-4-2-11-25(13-15)19-20-9-3-10-21-19/h3,9-10,15-17,22H,2,4-8,11-13H2,1H3
InChIKeyVNMHNTOUXTWTGV-UHFFFAOYSA-N
XLogP2.70
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methylamino]cyclohexyl]acetamide
CID 99715561
N-[[1-(3-methyl-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine
CID 55219574
(3R)-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]thian-3-amine
CID 99853750
N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-3-amine
CID 62386502
N-[[1-(4-propoxypyrimidin-2-yl)piperidin-3-yl]methyl]cyclopropanamine
CID 115975651
N,N-dimethyl-4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]benzamide
CID 45177868
3-methyl-5-[(3S)-1-(4-phenoxypyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 124889413
2-[(3R)-1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]ethanamine
CID 125437902
morpholin-4-yl-[4-[4-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]piperidin-1-yl]phenyl]methanone
CID 45205688
(3R)-N-(cyclopentylmethyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 95337828
4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine
CID 116809369
N-[(1-imidazo[1,2-a]pyridin-5-ylpiperidin-3-yl)methyl]cyclopropanamine
CID 102626977

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]cyclohexan-1-amine (CID 119037395) is 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]cyclohexan-1-amine is Cc1noc(C2CCC(NCC3CCCN(c4ncccn4)C3)CC2)n1.
What is the InChIKey of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]cyclohexan-1-amine?
The InChIKey is VNMHNTOUXTWTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-14-23-18(26-24-14)16-5-7-17(8-6-16)22-12-15-4-2-11-25(13-15)19-20-9-3-10-21-19/h3,9-10,15-17,22H,2,4-8,11-13H2,1H3.
What are the key properties of 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]cyclohexan-1-amine?
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]cyclohexan-1-amine has a molecular weight of 356.47 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 119037395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).