N-[(2S)-1-methoxypropan-2-yl]-2-[4-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]acetamide

C20H29N5O2 — CID 92615457

IUPACN-[(2S)-1-methoxypropan-2-yl]-2-[4-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]acetamide
SMILESCOC[C@H](C)NC(=O)CN1CCC(c2ccc(-c3cnn(C)c3)cn2)CC1
InChIInChI=1S/C20H29N5O2/c1-15(14-27-3)23-20(26)13-25-8-6-16(7-9-25)19-5-4-17(10-21-19)18-11-22-24(2)12-18/h4-5,10-12,15-16H,6-9,13-14H2,1-3H3,(H,23,26)/t15-/m0/s1
InChIKeyHFDBSJDDDIRRLQ-HNNXBMFYSA-N
MW371.49 g/mol
LogP1.81
Rot. Bonds7

About N-[(2S)-1-methoxypropan-2-yl]-2-[4-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]acetamide

N-[(2S)-1-methoxypropan-2-yl]-2-[4-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]acetamide (PubChem CID 92615457) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-[(2S)-1-methoxypropan-2-yl]-2-[4-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-methoxypropan-2-yl]-2-[4-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]acetamide
PubChem CID92615457
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC NameN-[(2S)-1-methoxypropan-2-yl]-2-[4-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]acetamide
SMILESCOC[C@H](C)NC(=O)CN1CCC(c2ccc(-c3cnn(C)c3)cn2)CC1
InChIInChI=1S/C20H29N5O2/c1-15(14-27-3)23-20(26)13-25-8-6-16(7-9-25)19-5-4-17(10-21-19)18-11-22-24(2)12-18/h4-5,10-12,15-16H,6-9,13-14H2,1-3H3,(H,23,26)/t15-/m0/s1
InChIKeyHFDBSJDDDIRRLQ-HNNXBMFYSA-N
XLogP1.81
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-2-[4-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]acetamide?
The IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-2-[4-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]acetamide (CID 92615457) is N-[(2S)-1-methoxypropan-2-yl]-2-[4-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-methoxypropan-2-yl]-2-[4-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-[(2S)-1-methoxypropan-2-yl]-2-[4-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]acetamide is COC[C@H](C)NC(=O)CN1CCC(c2ccc(-c3cnn(C)c3)cn2)CC1.
What is the InChIKey of N-[(2S)-1-methoxypropan-2-yl]-2-[4-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]acetamide?
The InChIKey is HFDBSJDDDIRRLQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-15(14-27-3)23-20(26)13-25-8-6-16(7-9-25)19-5-4-17(10-21-19)18-11-22-24(2)12-18/h4-5,10-12,15-16H,6-9,13-14H2,1-3H3,(H,23,26)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-methoxypropan-2-yl]-2-[4-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]acetamide?
N-[(2S)-1-methoxypropan-2-yl]-2-[4-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]acetamide has a molecular weight of 371.49 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxypropan-2-yl]-2-[4-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 92615457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).