3-(1-methylpyrazol-4-yl)-1-[3-(3-propan-2-yloxybenzoyl)piperidin-1-yl]propan-1-one

C22H29N3O3 — CID 24794060

IUPAC3-(1-methylpyrazol-4-yl)-1-[3-(3-propan-2-yloxybenzoyl)piperidin-1-yl]propan-1-one
SMILESCC(C)Oc1cccc(C(=O)C2CCCN(C(=O)CCc3cnn(C)c3)C2)c1
InChIInChI=1S/C22H29N3O3/c1-16(2)28-20-8-4-6-18(12-20)22(27)19-7-5-11-25(15-19)21(26)10-9-17-13-23-24(3)14-17/h4,6,8,12-14,16,19H,5,7,9-11,15H2,1-3H3
InChIKeyOLEOXKOJHPTLGN-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.26
Rot. Bonds7

About 3-(1-methylpyrazol-4-yl)-1-[3-(3-propan-2-yloxybenzoyl)piperidin-1-yl]propan-1-one

3-(1-methylpyrazol-4-yl)-1-[3-(3-propan-2-yloxybenzoyl)piperidin-1-yl]propan-1-one (PubChem CID 24794060) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-1-[3-(3-propan-2-yloxybenzoyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-1-[3-(3-propan-2-yloxybenzoyl)piperidin-1-yl]propan-1-one
PubChem CID24794060
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name3-(1-methylpyrazol-4-yl)-1-[3-(3-propan-2-yloxybenzoyl)piperidin-1-yl]propan-1-one
SMILESCC(C)Oc1cccc(C(=O)C2CCCN(C(=O)CCc3cnn(C)c3)C2)c1
InChIInChI=1S/C22H29N3O3/c1-16(2)28-20-8-4-6-18(12-20)22(27)19-7-5-11-25(15-19)21(26)10-9-17-13-23-24(3)14-17/h4,6,8,12-14,16,19H,5,7,9-11,15H2,1-3H3
InChIKeyOLEOXKOJHPTLGN-UHFFFAOYSA-N
XLogP3.26
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-Isopropoxyphenyl)(1-((5-methyl-1-propyl-1H-pyrazol-4-yl)methyl)piperidin-3-yl)methanone
CID 16190867
(3-Propan-2-yloxyphenyl)-[1-[(1-propan-2-yl-4-pyrazolyl)methyl]-3-piperidinyl]methanone
CID 16187238
4-({1-[(dimethylamino)sulfonyl]-4-piperidinyl}oxy)-N-ethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 16187695
(3-isopropoxyphenyl){1-[4-methoxy-3-(1H-pyrazol-1-ylmethyl)benzyl]-3-piperidinyl}methanone
CID 16189960
2-(3,5-Dimethyl-1-pyrazolyl)-1-[3-[oxo-(3-propan-2-yloxyphenyl)methyl]-1-piperidinyl]ethanone
CID 16190091
{1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}(3-methoxyphenyl)methanone
CID 16190521
(6-methoxy-2-naphthyl){1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinyl}methanone
CID 16191473
(1-((1-Ethyl-5-methyl-1H-pyrazol-4-yl)methyl)piperidin-3-yl)(3-isopropoxyphenyl)methanone
CID 16191661
{1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}(3-isopropoxyphenyl)methanone
CID 16191881
{1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}(3-methoxyphenyl)methanone
CID 16192028
(3-methoxyphenyl){1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}methanone
CID 16192471
(3-isopropoxyphenyl){1-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinyl}methanone
CID 24794072

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-1-[3-(3-propan-2-yloxybenzoyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-1-[3-(3-propan-2-yloxybenzoyl)piperidin-1-yl]propan-1-one (CID 24794060) is 3-(1-methylpyrazol-4-yl)-1-[3-(3-propan-2-yloxybenzoyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-1-[3-(3-propan-2-yloxybenzoyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-1-[3-(3-propan-2-yloxybenzoyl)piperidin-1-yl]propan-1-one is CC(C)Oc1cccc(C(=O)C2CCCN(C(=O)CCc3cnn(C)c3)C2)c1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-1-[3-(3-propan-2-yloxybenzoyl)piperidin-1-yl]propan-1-one?
The InChIKey is OLEOXKOJHPTLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-16(2)28-20-8-4-6-18(12-20)22(27)19-7-5-11-25(15-19)21(26)10-9-17-13-23-24(3)14-17/h4,6,8,12-14,16,19H,5,7,9-11,15H2,1-3H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-1-[3-(3-propan-2-yloxybenzoyl)piperidin-1-yl]propan-1-one?
3-(1-methylpyrazol-4-yl)-1-[3-(3-propan-2-yloxybenzoyl)piperidin-1-yl]propan-1-one has a molecular weight of 383.49 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-1-[3-(3-propan-2-yloxybenzoyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 24794060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).