N-[(6-ethoxy-2-pyridinyl)methyl]-1-[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-methylmethanamine

C21H33N5O — CID 129007334

IUPACN-[(6-ethoxy-2-pyridinyl)methyl]-1-[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-methylmethanamine
SMILESCCOc1cccc(CN(C)C[C@@H]2CCCN(CC)[C@H]2c2cnn(C)c2)n1
InChIInChI=1S/C21H33N5O/c1-5-26-12-8-9-17(21(26)18-13-22-25(4)15-18)14-24(3)16-19-10-7-11-20(23-19)27-6-2/h7,10-11,13,15,17,21H,5-6,8-9,12,14,16H2,1-4H3/t17-,21+/m0/s1
InChIKeyRSNSSZNTBSELHI-LAUBAEHRSA-N
MW371.53 g/mol
LogP3.12
Rot. Bonds8

About N-[(6-ethoxy-2-pyridinyl)methyl]-1-[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-methylmethanamine

N-[(6-ethoxy-2-pyridinyl)methyl]-1-[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-methylmethanamine (PubChem CID 129007334) has the molecular formula C21H33N5O and a molecular weight of 371.53 g/mol. Its IUPAC name is N-[(6-ethoxy-2-pyridinyl)methyl]-1-[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(6-ethoxy-2-pyridinyl)methyl]-1-[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-methylmethanamine
PubChem CID129007334
Molecular FormulaC21H33N5O
Molecular Weight371.53 g/mol
Exact Mass371.27
IUPAC NameN-[(6-ethoxy-2-pyridinyl)methyl]-1-[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-methylmethanamine
SMILESCCOc1cccc(CN(C)C[C@@H]2CCCN(CC)[C@H]2c2cnn(C)c2)n1
InChIInChI=1S/C21H33N5O/c1-5-26-12-8-9-17(21(26)18-13-22-25(4)15-18)14-24(3)16-19-10-7-11-20(23-19)27-6-2/h7,10-11,13,15,17,21H,5-6,8-9,12,14,16H2,1-4H3/t17-,21+/m0/s1
InChIKeyRSNSSZNTBSELHI-LAUBAEHRSA-N
XLogP3.12
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanamine
CID 128998863
1-[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-[[4-(methoxymethyl)phenyl]methyl]-N-methylmethanamine
CID 128971263
1-[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine
CID 128999095
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-methylmethanamine
CID 128992412
1-[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)methanamine
CID 128998835
4-[[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylamino]methyl]benzamide
CID 129005481
1-[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylmethanamine
CID 129007804
N-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methyl]-1-[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-methylmethanamine
CID 128967562
1-(3-chlorophenyl)-2-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylamino]ethanol
CID 128968896
N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 128991489
N-[(3-fluorophenyl)methyl]-N-methyl-1-[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methanamine
CID 128998061
2-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl-methylamino]pyridine-3-carbonitrile
CID 128996893

Frequently Asked Questions

What is the IUPAC name of N-[(6-ethoxy-2-pyridinyl)methyl]-1-[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-methylmethanamine?
The IUPAC name of N-[(6-ethoxy-2-pyridinyl)methyl]-1-[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-methylmethanamine (CID 129007334) is N-[(6-ethoxy-2-pyridinyl)methyl]-1-[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for N-[(6-ethoxy-2-pyridinyl)methyl]-1-[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-methylmethanamine?
The canonical SMILES for N-[(6-ethoxy-2-pyridinyl)methyl]-1-[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-methylmethanamine is CCOc1cccc(CN(C)C[C@@H]2CCCN(CC)[C@H]2c2cnn(C)c2)n1.
What is the InChIKey of N-[(6-ethoxy-2-pyridinyl)methyl]-1-[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-methylmethanamine?
The InChIKey is RSNSSZNTBSELHI-LAUBAEHRSA-N. The full InChI is InChI=1S/C21H33N5O/c1-5-26-12-8-9-17(21(26)18-13-22-25(4)15-18)14-24(3)16-19-10-7-11-20(23-19)27-6-2/h7,10-11,13,15,17,21H,5-6,8-9,12,14,16H2,1-4H3/t17-,21+/m0/s1.
What are the key properties of N-[(6-ethoxy-2-pyridinyl)methyl]-1-[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-methylmethanamine?
N-[(6-ethoxy-2-pyridinyl)methyl]-1-[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-methylmethanamine has a molecular weight of 371.53 g/mol, XLogP of 3.12, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-ethoxy-2-pyridinyl)methyl]-1-[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 129007334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).