N-methyl-3-[(3R)-1-methylpiperidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide

C17H30N4O — CID 97202138

IUPACN-methyl-3-[(3R)-1-methylpiperidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide
SMILESCN1CCC[C@H](CCC(=O)N(C)CCCc2cnn(C)c2)C1
InChIInChI=1S/C17H30N4O/c1-19-10-4-6-15(13-19)8-9-17(22)20(2)11-5-7-16-12-18-21(3)14-16/h12,14-15H,4-11,13H2,1-3H3/t15-/m1/s1
InChIKeyJQFNUHZIVPFUBM-OAHLLOKOSA-N
MW306.45 g/mol
LogP1.93
Rot. Bonds7

About N-methyl-3-[(3R)-1-methylpiperidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide

N-methyl-3-[(3R)-1-methylpiperidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide (PubChem CID 97202138) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is N-methyl-3-[(3R)-1-methylpiperidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-[(3R)-1-methylpiperidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide
PubChem CID97202138
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC NameN-methyl-3-[(3R)-1-methylpiperidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide
SMILESCN1CCC[C@H](CCC(=O)N(C)CCCc2cnn(C)c2)C1
InChIInChI=1S/C17H30N4O/c1-19-10-4-6-15(13-19)8-9-17(22)20(2)11-5-7-16-12-18-21(3)14-16/h12,14-15H,4-11,13H2,1-3H3/t15-/m1/s1
InChIKeyJQFNUHZIVPFUBM-OAHLLOKOSA-N
XLogP1.93
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(3R)-1-methylpiperidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide?
The IUPAC name of N-methyl-3-[(3R)-1-methylpiperidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide (CID 97202138) is N-methyl-3-[(3R)-1-methylpiperidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide.
What is the SMILES notation for N-methyl-3-[(3R)-1-methylpiperidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide?
The canonical SMILES for N-methyl-3-[(3R)-1-methylpiperidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide is CN1CCC[C@H](CCC(=O)N(C)CCCc2cnn(C)c2)C1.
What is the InChIKey of N-methyl-3-[(3R)-1-methylpiperidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide?
The InChIKey is JQFNUHZIVPFUBM-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H30N4O/c1-19-10-4-6-15(13-19)8-9-17(22)20(2)11-5-7-16-12-18-21(3)14-16/h12,14-15H,4-11,13H2,1-3H3/t15-/m1/s1.
What are the key properties of N-methyl-3-[(3R)-1-methylpiperidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide?
N-methyl-3-[(3R)-1-methylpiperidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide has a molecular weight of 306.45 g/mol, XLogP of 1.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(3R)-1-methylpiperidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide is sourced from PubChem (CID 97202138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).