[4-(cyclopropylmethoxy)phenyl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone

C21H27N3O3 — CID 126779273

IUPAC[4-(cyclopropylmethoxy)phenyl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(OCC2CC2)cc1)N1CCC(c2ccnn2CCO)CC1
InChIInChI=1S/C21H27N3O3/c25-14-13-24-20(7-10-22-24)17-8-11-23(12-9-17)21(26)18-3-5-19(6-4-18)27-15-16-1-2-16/h3-7,10,16-17,25H,1-2,8-9,11-15H2
InChIKeyCSWDNPCPRDJQEN-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.68
Rot. Bonds7

About [4-(cyclopropylmethoxy)phenyl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone

[4-(cyclopropylmethoxy)phenyl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone (PubChem CID 126779273) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is [4-(cyclopropylmethoxy)phenyl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethoxy)phenyl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
PubChem CID126779273
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name[4-(cyclopropylmethoxy)phenyl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(OCC2CC2)cc1)N1CCC(c2ccnn2CCO)CC1
InChIInChI=1S/C21H27N3O3/c25-14-13-24-20(7-10-22-24)17-8-11-23(12-9-17)21(26)18-3-5-19(6-4-18)27-15-16-1-2-16/h3-7,10,16-17,25H,1-2,8-9,11-15H2
InChIKeyCSWDNPCPRDJQEN-UHFFFAOYSA-N
XLogP2.68
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

morpholin-4-yl-[4-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methoxy]phenyl]methanone
CID 53150425
[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-[(2S,3S)-2-methyloxan-3-yl]methanone
CID 154793910
[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110639067
[4-(cyclopropylmethoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645875
[4-[[1-(2-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 53150391
(4-aminopiperidin-1-yl)-[4-(cyclohexylmethoxy)phenyl]methanone
CID 119376325
[4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638786
[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 136520567
[(2S,3S)-2-ethyloxan-3-yl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
CID 129492752
(2R)-2-hydroxy-1-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-phenylethanone
CID 97334827
methyl 3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]propanoate
CID 110913158
cyclohexyl-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone
CID 53150344

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethoxy)phenyl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of [4-(cyclopropylmethoxy)phenyl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone (CID 126779273) is [4-(cyclopropylmethoxy)phenyl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [4-(cyclopropylmethoxy)phenyl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for [4-(cyclopropylmethoxy)phenyl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone is O=C(c1ccc(OCC2CC2)cc1)N1CCC(c2ccnn2CCO)CC1.
What is the InChIKey of [4-(cyclopropylmethoxy)phenyl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is CSWDNPCPRDJQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c25-14-13-24-20(7-10-22-24)17-8-11-23(12-9-17)21(26)18-3-5-19(6-4-18)27-15-16-1-2-16/h3-7,10,16-17,25H,1-2,8-9,11-15H2.
What are the key properties of [4-(cyclopropylmethoxy)phenyl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone?
[4-(cyclopropylmethoxy)phenyl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 369.47 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethoxy)phenyl]-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 126779273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).