[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone

C24H30N2O2 — CID 29185356

IUPAC[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
SMILESCN1CCC(N2CCC[C@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)CC1
InChIInChI=1S/C24H30N2O2/c1-25-16-13-21(14-17-25)26-15-5-6-20(18-26)24(27)19-9-11-23(12-10-19)28-22-7-3-2-4-8-22/h2-4,7-12,20-21H,5-6,13-18H2,1H3/t20-/m0/s1
InChIKeyYRCIMTLLYIXAQJ-FQEVSTJZSA-N
MW378.52 g/mol
LogP4.47
Rot. Bonds5

About [(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone

[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone (PubChem CID 29185356) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is [(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
PubChem CID29185356
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
SMILESCN1CCC(N2CCC[C@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)CC1
InChIInChI=1S/C24H30N2O2/c1-25-16-13-21(14-17-25)26-15-5-6-20(18-26)24(27)19-9-11-23(12-10-19)28-22-7-3-2-4-8-22/h2-4,7-12,20-21H,5-6,13-18H2,1H3/t20-/m0/s1
InChIKeyYRCIMTLLYIXAQJ-FQEVSTJZSA-N
XLogP4.47
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1-ethylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
CID 45195996
[1-(oxan-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
CID 45219197
1-[4-[(3R)-3-(4-phenylbenzoyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 42347424
2-methylsulfanyl-1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethanone
CID 42306399
3-[3-(4-phenoxybenzoyl)piperidin-1-yl]propanamide
CID 56863001
N,N-dimethyl-3-(4-phenoxybenzoyl)piperidine-1-sulfonamide
CID 45245950
N-[2-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethyl]acetamide
CID 95415351
[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 29258112
(4-phenoxyphenyl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 45178915
[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 45206649
[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-(2-methylsulfanylphenyl)methanone
CID 45226774
1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid
CID 3162006

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone?
The IUPAC name of [(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone (CID 29185356) is [(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone.
What is the SMILES notation for [(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone?
The canonical SMILES for [(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone is CN1CCC(N2CCC[C@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)CC1.
What is the InChIKey of [(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone?
The InChIKey is YRCIMTLLYIXAQJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-25-16-13-21(14-17-25)26-15-5-6-20(18-26)24(27)19-9-11-23(12-10-19)28-22-7-3-2-4-8-22/h2-4,7-12,20-21H,5-6,13-18H2,1H3/t20-/m0/s1.
What are the key properties of [(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone?
[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone has a molecular weight of 378.52 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone is sourced from PubChem (CID 29185356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).