(2R)-2-(2,5-dimethylfuran-3-yl)-1-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]propan-2-ol

C20H29N3O2 — CID 124600700

IUPAC(2R)-2-(2,5-dimethylfuran-3-yl)-1-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]propan-2-ol
SMILESCc1cc([C@@](C)(O)CNC2CCN(Cc3cccnc3)CC2)c(C)o1
InChIInChI=1S/C20H29N3O2/c1-15-11-19(16(2)25-15)20(3,24)14-22-18-6-9-23(10-7-18)13-17-5-4-8-21-12-17/h4-5,8,11-12,18,22,24H,6-7,9-10,13-14H2,1-3H3/t20-/m0/s1
InChIKeyRWNDGVRBAGNOEI-FQEVSTJZSA-N
MW343.47 g/mol
LogP2.75
Rot. Bonds6

About (2R)-2-(2,5-dimethylfuran-3-yl)-1-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]propan-2-ol

(2R)-2-(2,5-dimethylfuran-3-yl)-1-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]propan-2-ol (PubChem CID 124600700) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (2R)-2-(2,5-dimethylfuran-3-yl)-1-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-2-(2,5-dimethylfuran-3-yl)-1-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]propan-2-ol
PubChem CID124600700
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name(2R)-2-(2,5-dimethylfuran-3-yl)-1-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]propan-2-ol
SMILESCc1cc([C@@](C)(O)CNC2CCN(Cc3cccnc3)CC2)c(C)o1
InChIInChI=1S/C20H29N3O2/c1-15-11-19(16(2)25-15)20(3,24)14-22-18-6-9-23(10-7-18)13-17-5-4-8-21-12-17/h4-5,8,11-12,18,22,24H,6-7,9-10,13-14H2,1-3H3/t20-/m0/s1
InChIKeyRWNDGVRBAGNOEI-FQEVSTJZSA-N
XLogP2.75
TPSA61.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(2,5-dimethylfuran-3-yl)-1-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]propan-2-ol with MolForge

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Related Compounds

2-(2,5-dimethylfuran-3-yl)-1-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 111755766
2-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62593458
N-(4-methylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine
CID 4040204
1-(cyclopropylmethylamino)-2-(2,5-dimethylfuran-3-yl)propan-2-ol
CID 111467688
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine
CID 75382521
2-methyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-ol
CID 63104400
(2R)-2-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide;hydrochloride
CID 120872926
1-(3,3-dimethylbutanoyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 136512000
4-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]pyridine-3-carboxamide
CID 133454947
2-oxo-7-propan-2-yloxy-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]chromene-3-carboxamide
CID 171911394
1-(2-methyl-1-benzofuran-5-yl)-3-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]urea
CID 125175466
(2R,6S)-2,6-dimethyl-4-[1-(pyridin-3-ylmethyl)piperidin-4-yl]morpholine
CID 756436

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-dimethylfuran-3-yl)-1-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]propan-2-ol?
The IUPAC name of (2R)-2-(2,5-dimethylfuran-3-yl)-1-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]propan-2-ol (CID 124600700) is (2R)-2-(2,5-dimethylfuran-3-yl)-1-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for (2R)-2-(2,5-dimethylfuran-3-yl)-1-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]propan-2-ol?
The canonical SMILES for (2R)-2-(2,5-dimethylfuran-3-yl)-1-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]propan-2-ol is Cc1cc([C@@](C)(O)CNC2CCN(Cc3cccnc3)CC2)c(C)o1.
What is the InChIKey of (2R)-2-(2,5-dimethylfuran-3-yl)-1-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]propan-2-ol?
The InChIKey is RWNDGVRBAGNOEI-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-15-11-19(16(2)25-15)20(3,24)14-22-18-6-9-23(10-7-18)13-17-5-4-8-21-12-17/h4-5,8,11-12,18,22,24H,6-7,9-10,13-14H2,1-3H3/t20-/m0/s1.
What are the key properties of (2R)-2-(2,5-dimethylfuran-3-yl)-1-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]propan-2-ol?
(2R)-2-(2,5-dimethylfuran-3-yl)-1-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]propan-2-ol has a molecular weight of 343.47 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-dimethylfuran-3-yl)-1-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 124600700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).