[(2R)-2-(1-hydroxyethyl)pyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone

C18H27N3O2 — CID 126837846

IUPAC[(2R)-2-(1-hydroxyethyl)pyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone
SMILESCC(O)[C@H]1CCCN1C(=O)C1CCCN(Cc2cccnc2)C1
InChIInChI=1S/C18H27N3O2/c1-14(22)17-7-4-10-21(17)18(23)16-6-3-9-20(13-16)12-15-5-2-8-19-11-15/h2,5,8,11,14,16-17,22H,3-4,6-7,9-10,12-13H2,1H3/t14?,16?,17-/m1/s1
InChIKeyKQTJYDVHRDKJGP-BDVYOWHSSA-N
MW317.43 g/mol
LogP1.67
Rot. Bonds4

About [(2R)-2-(1-hydroxyethyl)pyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone

[(2R)-2-(1-hydroxyethyl)pyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone (PubChem CID 126837846) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is [(2R)-2-(1-hydroxyethyl)pyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-(1-hydroxyethyl)pyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone
PubChem CID126837846
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name[(2R)-2-(1-hydroxyethyl)pyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone
SMILESCC(O)[C@H]1CCCN1C(=O)C1CCCN(Cc2cccnc2)C1
InChIInChI=1S/C18H27N3O2/c1-14(22)17-7-4-10-21(17)18(23)16-6-3-9-20(13-16)12-15-5-2-8-19-11-15/h2,5,8,11,14,16-17,22H,3-4,6-7,9-10,12-13H2,1H3/t14?,16?,17-/m1/s1
InChIKeyKQTJYDVHRDKJGP-BDVYOWHSSA-N
XLogP1.67
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-2-(1-hydroxyethyl)pyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone with MolForge

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Related Compounds

[(2R)-2,4-dimethylpiperazin-1-yl]-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone
CID 124856003
(3S)-N-[(1S)-1-(4-bromophenyl)ethyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95275460
(4-phenylphenyl)-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone
CID 45178461
N-[1-(5-oxo-1,2-dihydropyrazol-3-yl)ethyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 154766014
methyl (3S)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 142605380
[(3S)-1-benzylpiperidin-3-yl]-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 98763268
N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-3-yl]ethanamine
CID 55256845
[1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 72901707
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 155947567
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
1-[[3-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125840
[(3aR,6aS)-2-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-cyclobutylmethanone
CID 97452906

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(1-hydroxyethyl)pyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone?
The IUPAC name of [(2R)-2-(1-hydroxyethyl)pyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone (CID 126837846) is [(2R)-2-(1-hydroxyethyl)pyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone.
What is the SMILES notation for [(2R)-2-(1-hydroxyethyl)pyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone?
The canonical SMILES for [(2R)-2-(1-hydroxyethyl)pyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone is CC(O)[C@H]1CCCN1C(=O)C1CCCN(Cc2cccnc2)C1.
What is the InChIKey of [(2R)-2-(1-hydroxyethyl)pyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone?
The InChIKey is KQTJYDVHRDKJGP-BDVYOWHSSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14(22)17-7-4-10-21(17)18(23)16-6-3-9-20(13-16)12-15-5-2-8-19-11-15/h2,5,8,11,14,16-17,22H,3-4,6-7,9-10,12-13H2,1H3/t14?,16?,17-/m1/s1.
What are the key properties of [(2R)-2-(1-hydroxyethyl)pyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone?
[(2R)-2-(1-hydroxyethyl)pyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone has a molecular weight of 317.43 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(1-hydroxyethyl)pyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone is sourced from PubChem (CID 126837846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).