1-piperidin-1-yl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one

C16H26N4O — CID 95323418

IUPAC1-piperidin-1-yl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCN1CCC[C@H]1Cn1cccn1)N1CCCCC1
InChIInChI=1S/C16H26N4O/c21-16(19-9-2-1-3-10-19)7-13-18-11-4-6-15(18)14-20-12-5-8-17-20/h5,8,12,15H,1-4,6-7,9-11,13-14H2/t15-/m0/s1
InChIKeyKBOOAHRPAPYXIV-HNNXBMFYSA-N
MW290.41 g/mol
LogP1.75
Rot. Bonds5

About 1-piperidin-1-yl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one

1-piperidin-1-yl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 95323418) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-piperidin-1-yl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-piperidin-1-yl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
PubChem CID95323418
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-piperidin-1-yl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCN1CCC[C@H]1Cn1cccn1)N1CCCCC1
InChIInChI=1S/C16H26N4O/c21-16(19-9-2-1-3-10-19)7-13-18-11-4-6-15(18)14-20-12-5-8-17-20/h5,8,12,15H,1-4,6-7,9-11,13-14H2/t15-/m0/s1
InChIKeyKBOOAHRPAPYXIV-HNNXBMFYSA-N
XLogP1.75
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95147558
1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one
CID 176931568
N,N-bis(cyanomethyl)-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95326358
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95609321
3-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide
CID 95609241
cyclobutyl-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 73440121
(2S)-1-(2-methylprop-2-enyl)-2-(pyrazol-1-ylmethyl)piperidine
CID 95325556
1-[[(2S)-1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]methyl]pyrazole
CID 95313531
[(2S)-1-ethylpiperidin-2-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603872
[(2R)-1-propylpyrrolidin-2-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 129461598
2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetonitrile
CID 95609183
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95344571

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-piperidin-1-yl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one (CID 95323418) is 1-piperidin-1-yl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-piperidin-1-yl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-piperidin-1-yl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one is O=C(CCN1CCC[C@H]1Cn1cccn1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is KBOOAHRPAPYXIV-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H26N4O/c21-16(19-9-2-1-3-10-19)7-13-18-11-4-6-15(18)14-20-12-5-8-17-20/h5,8,12,15H,1-4,6-7,9-11,13-14H2/t15-/m0/s1.
What are the key properties of 1-piperidin-1-yl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one?
1-piperidin-1-yl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 290.41 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 95323418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).