1-[(2S)-2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one

C22H28N4O3 — CID 95840546

IUPAC1-[(2S)-2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(c1cc([C@@H]2CCCCN2C(=O)CCc2ccccc2)[nH]n1)N1CCOCC1
InChIInChI=1S/C22H28N4O3/c27-21(10-9-17-6-2-1-3-7-17)26-11-5-4-8-20(26)18-16-19(24-23-18)22(28)25-12-14-29-15-13-25/h1-3,6-7,16,20H,4-5,8-15H2,(H,23,24)/t20-/m0/s1
InChIKeyNYRCMQNKMGCCQP-FQEVSTJZSA-N
MW396.49 g/mol
LogP2.57
Rot. Bonds5

About 1-[(2S)-2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one

1-[(2S)-2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 95840546) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-[(2S)-2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID95840546
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name1-[(2S)-2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(c1cc([C@@H]2CCCCN2C(=O)CCc2ccccc2)[nH]n1)N1CCOCC1
InChIInChI=1S/C22H28N4O3/c27-21(10-9-17-6-2-1-3-7-17)26-11-5-4-8-20(26)18-16-19(24-23-18)22(28)25-12-14-29-15-13-25/h1-3,6-7,16,20H,4-5,8-15H2,(H,23,24)/t20-/m0/s1
InChIKeyNYRCMQNKMGCCQP-FQEVSTJZSA-N
XLogP2.57
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.57
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
3-(4-fluorophenyl)-1-[2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 110268966
morpholin-4-yl-[5-[(2S)-1-(3-phenylpropyl)piperidin-2-yl]-1H-pyrazol-3-yl]methanone
CID 95840524
2-(4-fluorophenoxy)-1-[(2R)-2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 95840607
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
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
N-cyclopentyl-5-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 110268965
3-phenyl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 47028466
1-[(3S)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 95840549
1-[3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 110268882

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[(2S)-2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one (CID 95840546) is 1-[(2S)-2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[(2S)-2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[(2S)-2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one is O=C(c1cc([C@@H]2CCCCN2C(=O)CCc2ccccc2)[nH]n1)N1CCOCC1.
What is the InChIKey of 1-[(2S)-2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is NYRCMQNKMGCCQP-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H28N4O3/c27-21(10-9-17-6-2-1-3-7-17)26-11-5-4-8-20(26)18-16-19(24-23-18)22(28)25-12-14-29-15-13-25/h1-3,6-7,16,20H,4-5,8-15H2,(H,23,24)/t20-/m0/s1.
What are the key properties of 1-[(2S)-2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one?
1-[(2S)-2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 396.49 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 95840546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).