1-cyclopropyl-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine

C18H31N5O — CID 51104838

IUPAC1-cyclopropyl-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine
SMILESCc1nn(C)c(N2CCOCC2)c1CNC1CCN(C2CC2)CC1
InChIInChI=1S/C18H31N5O/c1-14-17(18(21(2)20-14)23-9-11-24-12-10-23)13-19-15-5-7-22(8-6-15)16-3-4-16/h15-16,19H,3-13H2,1-2H3
InChIKeyJKYXLTLOVXOQKO-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.28
Rot. Bonds5

About 1-cyclopropyl-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine

1-cyclopropyl-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine (PubChem CID 51104838) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine
PubChem CID51104838
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name1-cyclopropyl-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine
SMILESCc1nn(C)c(N2CCOCC2)c1CNC1CCN(C2CC2)CC1
InChIInChI=1S/C18H31N5O/c1-14-17(18(21(2)20-14)23-9-11-24-12-10-23)13-19-15-5-7-22(8-6-15)16-3-4-16/h15-16,19H,3-13H2,1-2H3
InChIKeyJKYXLTLOVXOQKO-UHFFFAOYSA-N
XLogP1.28
TPSA45.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-cyclopropyl-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine (CID 51104838) is 1-cyclopropyl-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-cyclopropyl-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-cyclopropyl-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine is Cc1nn(C)c(N2CCOCC2)c1CNC1CCN(C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is JKYXLTLOVXOQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-14-17(18(21(2)20-14)23-9-11-24-12-10-23)13-19-15-5-7-22(8-6-15)16-3-4-16/h15-16,19H,3-13H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine?
1-cyclopropyl-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 333.48 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 51104838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).