(3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methylpyrazol-1-yl)-2-pyridinyl]piperidin-4-amine

C22H33N5O — CID 118264141

IUPAC(3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methylpyrazol-1-yl)-2-pyridinyl]piperidin-4-amine
SMILESCO[C@H]1CN(c2ncc(C)cc2-n2ccc(C)n2)CC[C@H]1NC1CCCCC1
InChIInChI=1S/C22H33N5O/c1-16-13-20(27-12-9-17(2)25-27)22(23-14-16)26-11-10-19(21(15-26)28-3)24-18-7-5-4-6-8-18/h9,12-14,18-19,21,24H,4-8,10-11,15H2,1-3H3/t19-,21+/m1/s1
InChIKeyWKNTWDLCNNIPKD-CTNGQTDRSA-N
MW383.54 g/mol
LogP3.40
Rot. Bonds5

About (3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methylpyrazol-1-yl)-2-pyridinyl]piperidin-4-amine

(3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methylpyrazol-1-yl)-2-pyridinyl]piperidin-4-amine (PubChem CID 118264141) has the molecular formula C22H33N5O and a molecular weight of 383.54 g/mol. Its IUPAC name is (3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methylpyrazol-1-yl)-2-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound Name(3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methylpyrazol-1-yl)-2-pyridinyl]piperidin-4-amine
PubChem CID118264141
Molecular FormulaC22H33N5O
Molecular Weight383.54 g/mol
Exact Mass383.27
IUPAC Name(3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methylpyrazol-1-yl)-2-pyridinyl]piperidin-4-amine
SMILESCO[C@H]1CN(c2ncc(C)cc2-n2ccc(C)n2)CC[C@H]1NC1CCCCC1
InChIInChI=1S/C22H33N5O/c1-16-13-20(27-12-9-17(2)25-27)22(23-14-16)26-11-10-19(21(15-26)28-3)24-18-7-5-4-6-8-18/h9,12-14,18-19,21,24H,4-8,10-11,15H2,1-3H3/t19-,21+/m1/s1
InChIKeyWKNTWDLCNNIPKD-CTNGQTDRSA-N
XLogP3.40
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methylpyrazol-1-yl)-2-pyridinyl]piperidin-4-amine?
The IUPAC name of (3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methylpyrazol-1-yl)-2-pyridinyl]piperidin-4-amine (CID 118264141) is (3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methylpyrazol-1-yl)-2-pyridinyl]piperidin-4-amine.
What is the SMILES notation for (3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methylpyrazol-1-yl)-2-pyridinyl]piperidin-4-amine?
The canonical SMILES for (3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methylpyrazol-1-yl)-2-pyridinyl]piperidin-4-amine is CO[C@H]1CN(c2ncc(C)cc2-n2ccc(C)n2)CC[C@H]1NC1CCCCC1.
What is the InChIKey of (3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methylpyrazol-1-yl)-2-pyridinyl]piperidin-4-amine?
The InChIKey is WKNTWDLCNNIPKD-CTNGQTDRSA-N. The full InChI is InChI=1S/C22H33N5O/c1-16-13-20(27-12-9-17(2)25-27)22(23-14-16)26-11-10-19(21(15-26)28-3)24-18-7-5-4-6-8-18/h9,12-14,18-19,21,24H,4-8,10-11,15H2,1-3H3/t19-,21+/m1/s1.
What are the key properties of (3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methylpyrazol-1-yl)-2-pyridinyl]piperidin-4-amine?
(3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methylpyrazol-1-yl)-2-pyridinyl]piperidin-4-amine has a molecular weight of 383.54 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N-cyclohexyl-3-methoxy-1-[5-methyl-3-(3-methylpyrazol-1-yl)-2-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 118264141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).