[4-(cyclopropylmethoxy)phenyl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone

C20H25N3O2 — CID 95606757

IUPAC[4-(cyclopropylmethoxy)phenyl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
SMILESCc1cnn([C@H]2CCCN(C(=O)c3ccc(OCC4CC4)cc3)C2)c1
InChIInChI=1S/C20H25N3O2/c1-15-11-21-23(12-15)18-3-2-10-22(13-18)20(24)17-6-8-19(9-7-17)25-14-16-4-5-16/h6-9,11-12,16,18H,2-5,10,13-14H2,1H3/t18-/m0/s1
InChIKeyGEVDEBKOUZUTAP-SFHVURJKSA-N
MW339.44 g/mol
LogP3.46
Rot. Bonds5

About [4-(cyclopropylmethoxy)phenyl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone

[4-(cyclopropylmethoxy)phenyl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone (PubChem CID 95606757) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is [4-(cyclopropylmethoxy)phenyl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethoxy)phenyl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
PubChem CID95606757
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name[4-(cyclopropylmethoxy)phenyl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
SMILESCc1cnn([C@H]2CCCN(C(=O)c3ccc(OCC4CC4)cc3)C2)c1
InChIInChI=1S/C20H25N3O2/c1-15-11-21-23(12-15)18-3-2-10-22(13-18)20(24)17-6-8-19(9-7-17)25-14-16-4-5-16/h6-9,11-12,16,18H,2-5,10,13-14H2,1H3/t18-/m0/s1
InChIKeyGEVDEBKOUZUTAP-SFHVURJKSA-N
XLogP3.46
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethoxy]benzamide
CID 95383166
[4-(cyclopropylmethoxy)phenyl]-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95343180
4-[2-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethoxy]benzonitrile
CID 95303871
5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 95286731
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 95297967
(3-aminophenyl)-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119881469
1-[4-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxylic acid
CID 119167329
[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone
CID 86905763
(5-bromofuran-3-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95280559
[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 95382966
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 95382852
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 95383312

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethoxy)phenyl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of [4-(cyclopropylmethoxy)phenyl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone (CID 95606757) is [4-(cyclopropylmethoxy)phenyl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(cyclopropylmethoxy)phenyl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(cyclopropylmethoxy)phenyl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone is Cc1cnn([C@H]2CCCN(C(=O)c3ccc(OCC4CC4)cc3)C2)c1.
What is the InChIKey of [4-(cyclopropylmethoxy)phenyl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is GEVDEBKOUZUTAP-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-11-21-23(12-15)18-3-2-10-22(13-18)20(24)17-6-8-19(9-7-17)25-14-16-4-5-16/h6-9,11-12,16,18H,2-5,10,13-14H2,1H3/t18-/m0/s1.
What are the key properties of [4-(cyclopropylmethoxy)phenyl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone?
[4-(cyclopropylmethoxy)phenyl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 339.44 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethoxy)phenyl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95606757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).