piperidin-1-yl-[2-[1-[(2S)-1-pyridin-2-ylpropan-2-yl]piperidin-4-yl]oxyphenyl]methanone

C25H33N3O2 — CID 26395074

IUPACpiperidin-1-yl-[2-[1-[(2S)-1-pyridin-2-ylpropan-2-yl]piperidin-4-yl]oxyphenyl]methanone
SMILESC[C@@H](Cc1ccccn1)N1CCC(Oc2ccccc2C(=O)N2CCCCC2)CC1
InChIInChI=1S/C25H33N3O2/c1-20(19-21-9-5-6-14-26-21)27-17-12-22(13-18-27)30-24-11-4-3-10-23(24)25(29)28-15-7-2-8-16-28/h3-6,9-11,14,20,22H,2,7-8,12-13,15-19H2,1H3/t20-/m0/s1
InChIKeyVLCWFWDHUCJPKU-FQEVSTJZSA-N
MW407.56 g/mol
LogP4.18
Rot. Bonds6

About piperidin-1-yl-[2-[1-[(2S)-1-pyridin-2-ylpropan-2-yl]piperidin-4-yl]oxyphenyl]methanone

piperidin-1-yl-[2-[1-[(2S)-1-pyridin-2-ylpropan-2-yl]piperidin-4-yl]oxyphenyl]methanone (PubChem CID 26395074) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is piperidin-1-yl-[2-[1-[(2S)-1-pyridin-2-ylpropan-2-yl]piperidin-4-yl]oxyphenyl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[2-[1-[(2S)-1-pyridin-2-ylpropan-2-yl]piperidin-4-yl]oxyphenyl]methanone
PubChem CID26395074
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Namepiperidin-1-yl-[2-[1-[(2S)-1-pyridin-2-ylpropan-2-yl]piperidin-4-yl]oxyphenyl]methanone
SMILESC[C@@H](Cc1ccccn1)N1CCC(Oc2ccccc2C(=O)N2CCCCC2)CC1
InChIInChI=1S/C25H33N3O2/c1-20(19-21-9-5-6-14-26-21)27-17-12-22(13-18-27)30-24-11-4-3-10-23(24)25(29)28-15-7-2-8-16-28/h3-6,9-11,14,20,22H,2,7-8,12-13,15-19H2,1H3/t20-/m0/s1
InChIKeyVLCWFWDHUCJPKU-FQEVSTJZSA-N
XLogP4.18
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylpiperazin-1-yl)-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone
CID 42291359
[4-(methoxymethyl)piperidin-1-yl]-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone
CID 42240600
2-(2-pyrrolidin-1-ylpropyl)pyridine
CID 90965469
piperidin-1-yl-[2-[1-(1,3-thiazol-2-yl)piperidin-4-yl]oxyphenyl]methanone
CID 72846007
[2-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 25274515
1-[4-(2-cyclobutyloxybenzoyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 75372240
[4-methoxy-2-[1-(1-phenoxypropan-2-yl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 45229358
[2-[1-(cyclopentylmethyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 26405720
[2-[1-(2-methoxybenzoyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-piperidin-1-ylmethanone
CID 91904267
3-chloro-N-(2-methoxyethyl)-4-[1-[(2R)-1-pyridin-2-ylpropan-2-yl]piperidin-4-yl]oxybenzamide
CID 25299524
3-chloro-N-(2-methoxyethyl)-4-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]oxybenzamide
CID 45216288
[3-[1-[(2S)-1-(5-methyl-2-pyridinyl)propan-2-yl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 42197832

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[2-[1-[(2S)-1-pyridin-2-ylpropan-2-yl]piperidin-4-yl]oxyphenyl]methanone?
The IUPAC name of piperidin-1-yl-[2-[1-[(2S)-1-pyridin-2-ylpropan-2-yl]piperidin-4-yl]oxyphenyl]methanone (CID 26395074) is piperidin-1-yl-[2-[1-[(2S)-1-pyridin-2-ylpropan-2-yl]piperidin-4-yl]oxyphenyl]methanone.
What is the SMILES notation for piperidin-1-yl-[2-[1-[(2S)-1-pyridin-2-ylpropan-2-yl]piperidin-4-yl]oxyphenyl]methanone?
The canonical SMILES for piperidin-1-yl-[2-[1-[(2S)-1-pyridin-2-ylpropan-2-yl]piperidin-4-yl]oxyphenyl]methanone is C[C@@H](Cc1ccccn1)N1CCC(Oc2ccccc2C(=O)N2CCCCC2)CC1.
What is the InChIKey of piperidin-1-yl-[2-[1-[(2S)-1-pyridin-2-ylpropan-2-yl]piperidin-4-yl]oxyphenyl]methanone?
The InChIKey is VLCWFWDHUCJPKU-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-20(19-21-9-5-6-14-26-21)27-17-12-22(13-18-27)30-24-11-4-3-10-23(24)25(29)28-15-7-2-8-16-28/h3-6,9-11,14,20,22H,2,7-8,12-13,15-19H2,1H3/t20-/m0/s1.
What are the key properties of piperidin-1-yl-[2-[1-[(2S)-1-pyridin-2-ylpropan-2-yl]piperidin-4-yl]oxyphenyl]methanone?
piperidin-1-yl-[2-[1-[(2S)-1-pyridin-2-ylpropan-2-yl]piperidin-4-yl]oxyphenyl]methanone has a molecular weight of 407.56 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[2-[1-[(2S)-1-pyridin-2-ylpropan-2-yl]piperidin-4-yl]oxyphenyl]methanone is sourced from PubChem (CID 26395074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).