3-[4-(1H-inden-2-ylmethyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine

C25H31N3O — CID 159732706

IUPAC3-[4-(1H-inden-2-ylmethyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
SMILESC1=C(CC2CCN(c3cncc(OC[C@@H]4CCCN4)c3)CC2)Cc2ccccc21
InChIInChI=1S/C25H31N3O/c1-2-5-22-14-20(13-21(22)4-1)12-19-7-10-28(11-8-19)24-15-25(17-26-16-24)29-18-23-6-3-9-27-23/h1-2,4-5,13,15-17,19,23,27H,3,6-12,14,18H2/t23-/m0/s1
InChIKeyUOAGXCQSASIVKJ-QHCPKHFHSA-N
MW389.54 g/mol
LogP4.46
Rot. Bonds6

About 3-[4-(1H-inden-2-ylmethyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine

3-[4-(1H-inden-2-ylmethyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine (PubChem CID 159732706) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is 3-[4-(1H-inden-2-ylmethyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-[4-(1H-inden-2-ylmethyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
PubChem CID159732706
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC Name3-[4-(1H-inden-2-ylmethyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
SMILESC1=C(CC2CCN(c3cncc(OC[C@@H]4CCCN4)c3)CC2)Cc2ccccc21
InChIInChI=1S/C25H31N3O/c1-2-5-22-14-20(13-21(22)4-1)12-19-7-10-28(11-8-19)24-15-25(17-26-16-24)29-18-23-6-3-9-27-23/h1-2,4-5,13,15-17,19,23,27H,3,6-12,14,18H2/t23-/m0/s1
InChIKeyUOAGXCQSASIVKJ-QHCPKHFHSA-N
XLogP4.46
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzene;3-pyrrolidin-1-yl-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 143977024
3-[1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol
CID 70881858
3-[(3R)-1-[5-[[(2R)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrrolidin-3-yl]propan-1-ol
CID 68612034
3-[4-(2-cyclohexyloxyethyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 68611410
4-[2-[1-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]piperidin-4-yl]ethoxy]phenol
CID 59371523
(5S)-3-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane
CID 143976866
3-[4-[2-(pyridin-3-ylmethoxy)ethyl]piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 59371754
5-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4-dihydro-1H-isoquinoline
CID 59371570
3-[3-(3-phenylmethoxypropyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;hydrochloride
CID 68612270
3-(4-chlorophenyl)-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
CID 54162908
(5S)-5-(phenylmethoxymethyl)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 59371335
3-[2-(4-phenylmethoxybutyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 68612964

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1H-inden-2-ylmethyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
The IUPAC name of 3-[4-(1H-inden-2-ylmethyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine (CID 159732706) is 3-[4-(1H-inden-2-ylmethyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 3-[4-(1H-inden-2-ylmethyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
The canonical SMILES for 3-[4-(1H-inden-2-ylmethyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine is C1=C(CC2CCN(c3cncc(OC[C@@H]4CCCN4)c3)CC2)Cc2ccccc21.
What is the InChIKey of 3-[4-(1H-inden-2-ylmethyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
The InChIKey is UOAGXCQSASIVKJ-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H31N3O/c1-2-5-22-14-20(13-21(22)4-1)12-19-7-10-28(11-8-19)24-15-25(17-26-16-24)29-18-23-6-3-9-27-23/h1-2,4-5,13,15-17,19,23,27H,3,6-12,14,18H2/t23-/m0/s1.
What are the key properties of 3-[4-(1H-inden-2-ylmethyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine?
3-[4-(1H-inden-2-ylmethyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine has a molecular weight of 389.54 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-inden-2-ylmethyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 159732706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).