morpholin-4-yl-[5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazol-3-yl]methanone

C22H30N4O2 — CID 95840524

IUPACmorpholin-4-yl-[5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazol-3-yl]methanone
SMILESO=C(c1cc([C@@H]2CCCCN2CCCc2ccccc2)[nH]n1)N1CCOCC1
InChIInChI=1S/C22H30N4O2/c27-22(26-13-15-28-16-14-26)20-17-19(23-24-20)21-10-4-5-11-25(21)12-6-9-18-7-2-1-3-8-18/h1-3,7-8,17,21H,4-6,9-16H2,(H,23,24)/t21-/m0/s1
InChIKeyWIKMIRUDKXZDNI-NRFANRHFSA-N
MW382.51 g/mol
LogP3.04
Rot. Bonds6

About morpholin-4-yl-[5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazol-3-yl]methanone

morpholin-4-yl-[5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazol-3-yl]methanone (PubChem CID 95840524) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is morpholin-4-yl-[5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazol-3-yl]methanone
PubChem CID95840524
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Namemorpholin-4-yl-[5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazol-3-yl]methanone
SMILESO=C(c1cc([C@@H]2CCCCN2CCCc2ccccc2)[nH]n1)N1CCOCC1
InChIInChI=1S/C22H30N4O2/c27-22(26-13-15-28-16-14-26)20-17-19(23-24-20)21-10-4-5-11-25(21)12-6-9-18-7-2-1-3-8-18/h1-3,7-8,17,21H,4-6,9-16H2,(H,23,24)/t21-/m0/s1
InChIKeyWIKMIRUDKXZDNI-NRFANRHFSA-N
XLogP3.04
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 110268929
1-[(2S)-2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95840546
N-cyclopentyl-5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 95840522
morpholin-4-yl-[5-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]-1H-pyrazol-3-yl]methanone
CID 95840395
[5-[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-1H-pyrazol-3-yl]-morpholin-4-ylmethanone
CID 95840424
3-(4-fluorophenyl)-1-[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 110268966
1-[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 110268834
[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110268862
2-(4-fluorophenoxy)-1-[(2R)-2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 95840607
5-(1-benzylpiperidin-2-yl)-N-cyclopentyl-1H-pyrazole-3-carboxamide
CID 110268851
morpholin-4-yl-(5-piperidin-2-yl-1H-pyrazol-3-yl)methanone
CID 110085527
1-[(3S)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 95840549

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazol-3-yl]methanone?
The IUPAC name of morpholin-4-yl-[5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazol-3-yl]methanone (CID 95840524) is morpholin-4-yl-[5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazol-3-yl]methanone?
The canonical SMILES for morpholin-4-yl-[5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazol-3-yl]methanone is O=C(c1cc([C@@H]2CCCCN2CCCc2ccccc2)[nH]n1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazol-3-yl]methanone?
The InChIKey is WIKMIRUDKXZDNI-NRFANRHFSA-N. The full InChI is InChI=1S/C22H30N4O2/c27-22(26-13-15-28-16-14-26)20-17-19(23-24-20)21-10-4-5-11-25(21)12-6-9-18-7-2-1-3-8-18/h1-3,7-8,17,21H,4-6,9-16H2,(H,23,24)/t21-/m0/s1.
What are the key properties of morpholin-4-yl-[5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazol-3-yl]methanone?
morpholin-4-yl-[5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazol-3-yl]methanone has a molecular weight of 382.51 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 95840524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).