(5-chloro-2-methoxyphenyl)-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone

C17H20ClN3O2 — CID 129357785

IUPAC(5-chloro-2-methoxyphenyl)-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC[C@H](c2ccn(C)n2)C1
InChIInChI=1S/C17H20ClN3O2/c1-20-9-7-15(19-20)12-4-3-8-21(11-12)17(22)14-10-13(18)5-6-16(14)23-2/h5-7,9-10,12H,3-4,8,11H2,1-2H3/t12-/m0/s1
InChIKeyWHRCDCJNGMUSRB-LBPRGKRZSA-N
MW333.82 g/mol
LogP3.10
Rot. Bonds3

About (5-chloro-2-methoxyphenyl)-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone

(5-chloro-2-methoxyphenyl)-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone (PubChem CID 129357785) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
PubChem CID129357785
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name(5-chloro-2-methoxyphenyl)-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC[C@H](c2ccn(C)n2)C1
InChIInChI=1S/C17H20ClN3O2/c1-20-9-7-15(19-20)12-4-3-8-21(11-12)17(22)14-10-13(18)5-6-16(14)23-2/h5-7,9-10,12H,3-4,8,11H2,1-2H3/t12-/m0/s1
InChIKeyWHRCDCJNGMUSRB-LBPRGKRZSA-N
XLogP3.10
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 841893
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CID 44448443
CID 44448443
CID 44448445
CID 44448445
CID 44448446
CID 44448446
CID 44448486
CID 44448486
CID 44448488
CID 44448488
CID 44448636
CID 44448636
CID 868972
CID 868972
CID 887689
CID 887689
CID 887885
CID 887885
CID 842012
CID 842012
CID 6873338
CID 6873338

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone (CID 129357785) is (5-chloro-2-methoxyphenyl)-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone is COc1ccc(Cl)cc1C(=O)N1CCC[C@H](c2ccn(C)n2)C1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is WHRCDCJNGMUSRB-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-20-9-7-15(19-20)12-4-3-8-21(11-12)17(22)14-10-13(18)5-6-16(14)23-2/h5-7,9-10,12H,3-4,8,11H2,1-2H3/t12-/m0/s1.
What are the key properties of (5-chloro-2-methoxyphenyl)-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone?
(5-chloro-2-methoxyphenyl)-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 333.82 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 129357785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).