N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide

C18H26N4O3 — CID 95718298

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide
SMILESCN(CC1(CO)CC1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccccn1
InChIInChI=1S/C18H26N4O3/c1-21(12-18(13-23)5-6-18)16(24)10-15-17(25)20-8-9-22(15)11-14-4-2-3-7-19-14/h2-4,7,15,23H,5-6,8-13H2,1H3,(H,20,25)/t15-/m0/s1
InChIKeyDZWHEWXYPUKVTC-HNNXBMFYSA-N
MW346.43 g/mol
LogP0.00
Rot. Bonds7

About N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide (PubChem CID 95718298) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide
PubChem CID95718298
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide
SMILESCN(CC1(CO)CC1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccccn1
InChIInChI=1S/C18H26N4O3/c1-21(12-18(13-23)5-6-18)16(24)10-15-17(25)20-8-9-22(15)11-14-4-2-3-7-19-14/h2-4,7,15,23H,5-6,8-13H2,1H3,(H,20,25)/t15-/m0/s1
InChIKeyDZWHEWXYPUKVTC-HNNXBMFYSA-N
XLogP0.00
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(hydroxymethyl)cyclobutyl]methyl]-N-methyl-2-[(2R)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]acetamide
CID 95707080
2-[(2S)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyridin-2-ylmethyl)acetamide
CID 42515124
N-(cyclopropylmethyl)-2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]-N-propylacetamide
CID 95714500
3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazin-2-one
CID 45229335
N-methyl-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-(pyrazin-2-ylmethyl)acetamide
CID 42217294
N-(2-hydroxyethyl)-N-methyl-2-[(2S)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95728025
2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propylacetamide
CID 95708335
N-(1-adamantylmethyl)-2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 45251828
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide
CID 95716955
N-methyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide
CID 45197561
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide
CID 95706948
N-methyl-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]-N-(2-phenoxyethyl)acetamide
CID 45191747

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide (CID 95718298) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide is CN(CC1(CO)CC1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccccn1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide?
The InChIKey is DZWHEWXYPUKVTC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-21(12-18(13-23)5-6-18)16(24)10-15-17(25)20-8-9-22(15)11-14-4-2-3-7-19-14/h2-4,7,15,23H,5-6,8-13H2,1H3,(H,20,25)/t15-/m0/s1.
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide has a molecular weight of 346.43 g/mol, XLogP of 0.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide is sourced from PubChem (CID 95718298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).