(4-methoxyphenyl)-[(3S)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone

C21H25N3O3 — CID 51492761

IUPAC(4-methoxyphenyl)-[(3S)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone
SMILESCOc1ccc(C(=O)[C@H]2CCCN(C(=O)c3n[nH]c4c3CCCC4)C2)cc1
InChIInChI=1S/C21H25N3O3/c1-27-16-10-8-14(9-11-16)20(25)15-5-4-12-24(13-15)21(26)19-17-6-2-3-7-18(17)22-23-19/h8-11,15H,2-7,12-13H2,1H3,(H,22,23)/t15-/m0/s1
InChIKeySWBRSRLBOPJFJL-HNNXBMFYSA-N
MW367.45 g/mol
LogP3.03
Rot. Bonds4

About (4-methoxyphenyl)-[(3S)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone

(4-methoxyphenyl)-[(3S)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone (PubChem CID 51492761) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is (4-methoxyphenyl)-[(3S)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[(3S)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone
PubChem CID51492761
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name(4-methoxyphenyl)-[(3S)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone
SMILESCOc1ccc(C(=O)[C@H]2CCCN(C(=O)c3n[nH]c4c3CCCC4)C2)cc1
InChIInChI=1S/C21H25N3O3/c1-27-16-10-8-14(9-11-16)20(25)15-5-4-12-24(13-15)21(26)19-17-6-2-3-7-18(17)22-23-19/h8-11,15H,2-7,12-13H2,1H3,(H,22,23)/t15-/m0/s1
InChIKeySWBRSRLBOPJFJL-HNNXBMFYSA-N
XLogP3.03
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-methoxyphenyl)-[(3S)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone with MolForge

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Related Compounds

(2-fluorophenyl)-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone
CID 16672636
(4-methoxyphenyl)-[(3S)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methanone
CID 95791894
methyl 3-(4-methoxybenzoyl)piperidine-1-carboxylate
CID 110394724
(3-hydroxypiperidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110889660
cyclopentyl-[3-(4-methoxybenzoyl)piperidin-1-yl]methanone
CID 110394678
(4-methylpiperidin-1-yl)-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]methanone
CID 84583410
4-[(3R)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97202813
4-[(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97202812
[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 124966908
[1-(2-methoxybenzoyl)piperidin-3-yl]-(4-methoxyphenyl)methanone
CID 110394690
N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]propanamide
CID 42515116
N-(cyclopropylmethyl)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidine-3-carboxamide
CID 138996028

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[(3S)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[(3S)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone (CID 51492761) is (4-methoxyphenyl)-[(3S)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[(3S)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[(3S)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone is COc1ccc(C(=O)[C@H]2CCCN(C(=O)c3n[nH]c4c3CCCC4)C2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[(3S)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone?
The InChIKey is SWBRSRLBOPJFJL-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-27-16-10-8-14(9-11-16)20(25)15-5-4-12-24(13-15)21(26)19-17-6-2-3-7-18(17)22-23-19/h8-11,15H,2-7,12-13H2,1H3,(H,22,23)/t15-/m0/s1.
What are the key properties of (4-methoxyphenyl)-[(3S)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone?
(4-methoxyphenyl)-[(3S)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone has a molecular weight of 367.45 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[(3S)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 51492761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).