3-(4-chloropyrazol-1-yl)-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one

C16H25ClN4O2 — CID 97153501

IUPAC3-(4-chloropyrazol-1-yl)-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCn1cc(Cl)cn1)N1CCCC[C@H]1CN1CCOCC1
InChIInChI=1S/C16H25ClN4O2/c17-14-11-18-20(12-14)6-4-16(22)21-5-2-1-3-15(21)13-19-7-9-23-10-8-19/h11-12,15H,1-10,13H2/t15-/m0/s1
InChIKeyDFJJJUJIOXYJCD-HNNXBMFYSA-N
MW340.86 g/mol
LogP1.64
Rot. Bonds5

About 3-(4-chloropyrazol-1-yl)-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one

3-(4-chloropyrazol-1-yl)-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one (PubChem CID 97153501) has the molecular formula C16H25ClN4O2 and a molecular weight of 340.86 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
PubChem CID97153501
Molecular FormulaC16H25ClN4O2
Molecular Weight340.86 g/mol
Exact Mass340.17
IUPAC Name3-(4-chloropyrazol-1-yl)-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCn1cc(Cl)cn1)N1CCCC[C@H]1CN1CCOCC1
InChIInChI=1S/C16H25ClN4O2/c17-14-11-18-20(12-14)6-4-16(22)21-5-2-1-3-15(21)13-19-7-9-23-10-8-19/h11-12,15H,1-10,13H2/t15-/m0/s1
InChIKeyDFJJJUJIOXYJCD-HNNXBMFYSA-N
XLogP1.64
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chloropyrazol-1-yl)-1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]propan-1-one
CID 70735720
3-(4-chloropyrazol-1-yl)-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]propan-1-one
CID 118773858
3-(4-chloropyrazol-1-yl)-1-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]propan-1-one
CID 125174346
6-methyl-1-[3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 72839391
(4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 125179954
2-(2-chlorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 136524926
2-(morpholin-4-ylmethyl)piperidine-1-carbothioic S-acid
CID 91568400
1-[2-(azepan-1-ylmethyl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 46957693
1-[3-(4-chloropyrazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 119354851
N-[[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]methyl]oxane-4-carboxamide
CID 131951672
(2R)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 126454885
1-[(3aR,5R,6R,7aS)-5-hydroxy-6-morpholin-4-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-3-(4-chloropyrazol-1-yl)propan-1-one
CID 172656515

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one (CID 97153501) is 3-(4-chloropyrazol-1-yl)-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one is O=C(CCn1cc(Cl)cn1)N1CCCC[C@H]1CN1CCOCC1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one?
The InChIKey is DFJJJUJIOXYJCD-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25ClN4O2/c17-14-11-18-20(12-14)6-4-16(22)21-5-2-1-3-15(21)13-19-7-9-23-10-8-19/h11-12,15H,1-10,13H2/t15-/m0/s1.
What are the key properties of 3-(4-chloropyrazol-1-yl)-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one?
3-(4-chloropyrazol-1-yl)-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one has a molecular weight of 340.86 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 97153501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).