[4-(hydroxymethyl)-2-pyridinyl]-[4-[(1S)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methanone

C18H27N3O2 — CID 99973293

IUPAC[4-(hydroxymethyl)-2-pyridinyl]-[4-[(1S)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methanone
SMILESC[C@@H](C1CCN(C(=O)c2cc(CO)ccn2)CC1)N1CCCC1
InChIInChI=1S/C18H27N3O2/c1-14(20-8-2-3-9-20)16-5-10-21(11-6-16)18(23)17-12-15(13-22)4-7-19-17/h4,7,12,14,16,22H,2-3,5-6,8-11,13H2,1H3/t14-/m0/s1
InChIKeyWRXQYBUFPHDISE-AWEZNQCLSA-N
MW317.43 g/mol
LogP1.91
Rot. Bonds4

About [4-(hydroxymethyl)-2-pyridinyl]-[4-[(1S)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methanone

[4-(hydroxymethyl)-2-pyridinyl]-[4-[(1S)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methanone (PubChem CID 99973293) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is [4-(hydroxymethyl)-2-pyridinyl]-[4-[(1S)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)-2-pyridinyl]-[4-[(1S)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methanone
PubChem CID99973293
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name[4-(hydroxymethyl)-2-pyridinyl]-[4-[(1S)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methanone
SMILESC[C@@H](C1CCN(C(=O)c2cc(CO)ccn2)CC1)N1CCCC1
InChIInChI=1S/C18H27N3O2/c1-14(20-8-2-3-9-20)16-5-10-21(11-6-16)18(23)17-12-15(13-22)4-7-19-17/h4,7,12,14,16,22H,2-3,5-6,8-11,13H2,1H3/t14-/m0/s1
InChIKeyWRXQYBUFPHDISE-AWEZNQCLSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(hydroxymethyl)-2-pyridinyl]-[4-[(1S)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-(1-hydroxyethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
CID 106837578
[(3R)-3-(2-hydroxyethyl)-4-(2-methylpropyl)piperazin-1-yl]-[4-(hydroxymethyl)-2-pyridinyl]methanone
CID 124680278
isoquinolin-3-yl-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone
CID 95861198
4-[4-(hydroxymethyl)pyridine-2-carbonyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
CID 91784309
N-methyl-N-[[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]methyl]acetamide
CID 178152323
[4-(2-methylpropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109203044
[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 70705426
[4-(azepan-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205143
[4-(2-ethylpiperidin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203690
1-methyl-5-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidine-1-carbonyl]pyridin-2-one
CID 95873949
[4-(diethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203679
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-2-pyridinyl]-[4-[(1S)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methanone?
The IUPAC name of [4-(hydroxymethyl)-2-pyridinyl]-[4-[(1S)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methanone (CID 99973293) is [4-(hydroxymethyl)-2-pyridinyl]-[4-[(1S)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methanone.
What is the SMILES notation for [4-(hydroxymethyl)-2-pyridinyl]-[4-[(1S)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methanone?
The canonical SMILES for [4-(hydroxymethyl)-2-pyridinyl]-[4-[(1S)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methanone is C[C@@H](C1CCN(C(=O)c2cc(CO)ccn2)CC1)N1CCCC1.
What is the InChIKey of [4-(hydroxymethyl)-2-pyridinyl]-[4-[(1S)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methanone?
The InChIKey is WRXQYBUFPHDISE-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14(20-8-2-3-9-20)16-5-10-21(11-6-16)18(23)17-12-15(13-22)4-7-19-17/h4,7,12,14,16,22H,2-3,5-6,8-11,13H2,1H3/t14-/m0/s1.
What are the key properties of [4-(hydroxymethyl)-2-pyridinyl]-[4-[(1S)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methanone?
[4-(hydroxymethyl)-2-pyridinyl]-[4-[(1S)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methanone has a molecular weight of 317.43 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-2-pyridinyl]-[4-[(1S)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 99973293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).