[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-(2-pyrrolidin-1-ylphenyl)methanone

C22H27N3O2 — CID 96582328

IUPAC[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-(2-pyrrolidin-1-ylphenyl)methanone
SMILESO=C(c1ccccc1N1CCCC1)N1CCC[C@H](OCc2cccnc2)C1
InChIInChI=1S/C22H27N3O2/c26-22(20-9-1-2-10-21(20)24-12-3-4-13-24)25-14-6-8-19(16-25)27-17-18-7-5-11-23-15-18/h1-2,5,7,9-11,15,19H,3-4,6,8,12-14,16-17H2/t19-/m0/s1
InChIKeyBVIRFRZORUKYNN-IBGZPJMESA-N
MW365.48 g/mol
LogP3.50
Rot. Bonds5

About [(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-(2-pyrrolidin-1-ylphenyl)methanone

[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-(2-pyrrolidin-1-ylphenyl)methanone (PubChem CID 96582328) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is [(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-(2-pyrrolidin-1-ylphenyl)methanone.

Molecular Properties

Compound Name[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-(2-pyrrolidin-1-ylphenyl)methanone
PubChem CID96582328
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-(2-pyrrolidin-1-ylphenyl)methanone
SMILESO=C(c1ccccc1N1CCCC1)N1CCC[C@H](OCc2cccnc2)C1
InChIInChI=1S/C22H27N3O2/c26-22(20-9-1-2-10-21(20)24-12-3-4-13-24)25-14-6-8-19(16-25)27-17-18-7-5-11-23-15-18/h1-2,5,7,9-11,15,19H,3-4,6,8,12-14,16-17H2/t19-/m0/s1
InChIKeyBVIRFRZORUKYNN-IBGZPJMESA-N
XLogP3.50
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-(2-pyrrolidin-1-ylphenyl)methanone with MolForge

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Related Compounds

(2-morpholin-4-ylphenyl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 131916218
(2-morpholin-4-ylphenyl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 131927908
2-phenylsulfanyl-1-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 96580928
2-phenylsulfanyl-1-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 96580927
(5-chloro-2-methylphenyl)-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 96577943
2,1-benzoxazol-3-yl-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 95207327
(5-cyclohexyl-1H-pyrazol-4-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70759901
(6-methoxy-2,3-dihydro-1H-inden-5-yl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70721344
(2-methoxy-4-pyridinyl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70710793
3-ethylsulfanyl-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one
CID 91775544
1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 70786893
3-(4-methylpiperazin-1-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one
CID 90648429

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-(2-pyrrolidin-1-ylphenyl)methanone?
The IUPAC name of [(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-(2-pyrrolidin-1-ylphenyl)methanone (CID 96582328) is [(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-(2-pyrrolidin-1-ylphenyl)methanone.
What is the SMILES notation for [(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-(2-pyrrolidin-1-ylphenyl)methanone?
The canonical SMILES for [(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-(2-pyrrolidin-1-ylphenyl)methanone is O=C(c1ccccc1N1CCCC1)N1CCC[C@H](OCc2cccnc2)C1.
What is the InChIKey of [(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-(2-pyrrolidin-1-ylphenyl)methanone?
The InChIKey is BVIRFRZORUKYNN-IBGZPJMESA-N. The full InChI is InChI=1S/C22H27N3O2/c26-22(20-9-1-2-10-21(20)24-12-3-4-13-24)25-14-6-8-19(16-25)27-17-18-7-5-11-23-15-18/h1-2,5,7,9-11,15,19H,3-4,6,8,12-14,16-17H2/t19-/m0/s1.
What are the key properties of [(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-(2-pyrrolidin-1-ylphenyl)methanone?
[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-(2-pyrrolidin-1-ylphenyl)methanone has a molecular weight of 365.48 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-(2-pyrrolidin-1-ylphenyl)methanone is sourced from PubChem (CID 96582328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).