cyclohexyl-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone

C24H34N2O3 — CID 53150344

IUPACcyclohexyl-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(OCC2CCN(C(=O)C3CCCCC3)CC2)cc1)N1CCCC1
InChIInChI=1S/C24H34N2O3/c27-23(20-6-2-1-3-7-20)26-16-12-19(13-17-26)18-29-22-10-8-21(9-11-22)24(28)25-14-4-5-15-25/h8-11,19-20H,1-7,12-18H2
InChIKeyYKVFQXKQSKCJLE-UHFFFAOYSA-N
MW398.55 g/mol
LogP4.12
Rot. Bonds5

About cyclohexyl-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone

cyclohexyl-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone (PubChem CID 53150344) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is cyclohexyl-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone
PubChem CID53150344
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC Namecyclohexyl-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(OCC2CCN(C(=O)C3CCCCC3)CC2)cc1)N1CCCC1
InChIInChI=1S/C24H34N2O3/c27-23(20-6-2-1-3-7-20)26-16-12-19(13-17-26)18-29-22-10-8-21(9-11-22)24(28)25-14-4-5-15-25/h8-11,19-20H,1-7,12-18H2
InChIKeyYKVFQXKQSKCJLE-UHFFFAOYSA-N
XLogP4.12
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminopiperidin-1-yl)-[4-(cyclohexylmethoxy)phenyl]methanone
CID 119376325
[4-[[1-(2-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 53150391
1-[4-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxylic acid
CID 119167329
cyclopentyl-[2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]methanone
CID 50846638
2-(4-fluorophenoxy)-1-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 53150393
[4-[[1-(3-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 53150363
cyclopentyl-[4-(4-propoxybenzoyl)piperazin-1-yl]methanone
CID 110801609
[4-(cyclohexylmethoxy)phenyl]-(1,4-diazepan-1-yl)methanone;hydrochloride
CID 119418066
azepan-1-yl-[1-[4-(3-methylbutoxy)benzoyl]piperidin-4-yl]methanone
CID 134029878
[4-(1-aminoethyl)piperidin-1-yl]-[4-(cyclohexylmethoxy)phenyl]methanone
CID 119520348
[4-(4-butoxybenzoyl)-1,4-diazepan-1-yl]-cyclobutylmethanone
CID 110809316
[4-(cyclopropylmethoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645875

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone (CID 53150344) is cyclohexyl-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone is O=C(c1ccc(OCC2CCN(C(=O)C3CCCCC3)CC2)cc1)N1CCCC1.
What is the InChIKey of cyclohexyl-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone?
The InChIKey is YKVFQXKQSKCJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c27-23(20-6-2-1-3-7-20)26-16-12-19(13-17-26)18-29-22-10-8-21(9-11-22)24(28)25-14-4-5-15-25/h8-11,19-20H,1-7,12-18H2.
What are the key properties of cyclohexyl-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone?
cyclohexyl-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone has a molecular weight of 398.55 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 53150344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).