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

C16H26N4O2 — CID 124991742

IUPAC(1-propan-2-ylpiperidin-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
SMILESCC(C)N1CCC(C(=O)N2CCOC[C@@H]2c2ccn[nH]2)CC1
InChIInChI=1S/C16H26N4O2/c1-12(2)19-7-4-13(5-8-19)16(21)20-9-10-22-11-15(20)14-3-6-17-18-14/h3,6,12-13,15H,4-5,7-11H2,1-2H3,(H,17,18)/t15-/m1/s1
InChIKeyPLNARLGVZFAEJX-OAHLLOKOSA-N
MW306.41 g/mol
LogP1.43
Rot. Bonds3

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

(1-propan-2-ylpiperidin-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone (PubChem CID 124991742) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (1-propan-2-ylpiperidin-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(1-propan-2-ylpiperidin-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
PubChem CID124991742
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(1-propan-2-ylpiperidin-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
SMILESCC(C)N1CCC(C(=O)N2CCOC[C@@H]2c2ccn[nH]2)CC1
InChIInChI=1S/C16H26N4O2/c1-12(2)19-7-4-13(5-8-19)16(21)20-9-10-22-11-15(20)14-3-6-17-18-14/h3,6,12-13,15H,4-5,7-11H2,1-2H3,(H,17,18)/t15-/m1/s1
InChIKeyPLNARLGVZFAEJX-OAHLLOKOSA-N
XLogP1.43
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-propan-2-yl-1,2-oxazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124989177
(2-cyclopropylpyrimidin-5-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 110114756
4-oxo-4-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]butanoic acid
CID 125026828
(1-methylpyrrol-2-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 125019638
(5-methyl-1,2-oxazol-3-yl)-[3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 110114599
(5-methyl-1,3-oxazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124981377
(1-ethylpyrazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124962888
(6-methoxy-3-pyridinyl)-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 125008509
[3-(hydroxymethyl)morpholin-4-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 70650528
1-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-2-pyridin-3-ylethanone
CID 124991678
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone
CID 110114673
2-(5-methylthiophen-2-yl)-1-[3-(1H-pyrazol-5-yl)morpholin-4-yl]ethanone
CID 110114639

Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylpiperidin-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone?
The IUPAC name of (1-propan-2-ylpiperidin-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone (CID 124991742) is (1-propan-2-ylpiperidin-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (1-propan-2-ylpiperidin-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone?
The canonical SMILES for (1-propan-2-ylpiperidin-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone is CC(C)N1CCC(C(=O)N2CCOC[C@@H]2c2ccn[nH]2)CC1.
What is the InChIKey of (1-propan-2-ylpiperidin-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone?
The InChIKey is PLNARLGVZFAEJX-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12(2)19-7-4-13(5-8-19)16(21)20-9-10-22-11-15(20)14-3-6-17-18-14/h3,6,12-13,15H,4-5,7-11H2,1-2H3,(H,17,18)/t15-/m1/s1.
What are the key properties of (1-propan-2-ylpiperidin-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone?
(1-propan-2-ylpiperidin-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone has a molecular weight of 306.41 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylpiperidin-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 124991742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).