N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]-2-(1-propan-2-ylpyrazol-3-yl)acetamide

C17H30N4O — CID 95633486

IUPACN-[(2S)-2-methyl-3-piperidin-1-ylpropyl]-2-(1-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(C)n1ccc(CC(=O)NC[C@H](C)CN2CCCCC2)n1
InChIInChI=1S/C17H30N4O/c1-14(2)21-10-7-16(19-21)11-17(22)18-12-15(3)13-20-8-5-4-6-9-20/h7,10,14-15H,4-6,8-9,11-13H2,1-3H3,(H,18,22)/t15-/m0/s1
InChIKeyFALAHXUKQPNTSY-HNNXBMFYSA-N
MW306.45 g/mol
LogP2.24
Rot. Bonds7

About N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]-2-(1-propan-2-ylpyrazol-3-yl)acetamide

N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]-2-(1-propan-2-ylpyrazol-3-yl)acetamide (PubChem CID 95633486) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]-2-(1-propan-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-methyl-3-piperidin-1-ylpropyl]-2-(1-propan-2-ylpyrazol-3-yl)acetamide
PubChem CID95633486
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC NameN-[(2S)-2-methyl-3-piperidin-1-ylpropyl]-2-(1-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(C)n1ccc(CC(=O)NC[C@H](C)CN2CCCCC2)n1
InChIInChI=1S/C17H30N4O/c1-14(2)21-10-7-16(19-21)11-17(22)18-12-15(3)13-20-8-5-4-6-9-20/h7,10,14-15H,4-6,8-9,11-13H2,1-3H3,(H,18,22)/t15-/m0/s1
InChIKeyFALAHXUKQPNTSY-HNNXBMFYSA-N
XLogP2.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]-2-(1-propan-2-ylpyrazol-3-yl)acetamide?
The IUPAC name of N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]-2-(1-propan-2-ylpyrazol-3-yl)acetamide (CID 95633486) is N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]-2-(1-propan-2-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]-2-(1-propan-2-ylpyrazol-3-yl)acetamide?
The canonical SMILES for N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]-2-(1-propan-2-ylpyrazol-3-yl)acetamide is CC(C)n1ccc(CC(=O)NC[C@H](C)CN2CCCCC2)n1.
What is the InChIKey of N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]-2-(1-propan-2-ylpyrazol-3-yl)acetamide?
The InChIKey is FALAHXUKQPNTSY-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-14(2)21-10-7-16(19-21)11-17(22)18-12-15(3)13-20-8-5-4-6-9-20/h7,10,14-15H,4-6,8-9,11-13H2,1-3H3,(H,18,22)/t15-/m0/s1.
What are the key properties of N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]-2-(1-propan-2-ylpyrazol-3-yl)acetamide?
N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]-2-(1-propan-2-ylpyrazol-3-yl)acetamide has a molecular weight of 306.45 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-methyl-3-piperidin-1-ylpropyl]-2-(1-propan-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 95633486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).