(2R,4S)-N-[(3S)-1-ethylpiperidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide

C12H23N3O2 — CID 124832336

IUPAC(2R,4S)-N-[(3S)-1-ethylpiperidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCCN1CCC[C@H](NC(=O)[C@H]2C[C@H](O)CN2)C1
InChIInChI=1S/C12H23N3O2/c1-2-15-5-3-4-9(8-15)14-12(17)11-6-10(16)7-13-11/h9-11,13,16H,2-8H2,1H3,(H,14,17)/t9-,10-,11+/m0/s1
InChIKeyASEMRJAIODUTJP-GARJFASQSA-N
MW241.33 g/mol
LogP-0.69
Rot. Bonds3

About (2R,4S)-N-[(3S)-1-ethylpiperidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide

(2R,4S)-N-[(3S)-1-ethylpiperidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 124832336) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is (2R,4S)-N-[(3S)-1-ethylpiperidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-[(3S)-1-ethylpiperidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID124832336
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name(2R,4S)-N-[(3S)-1-ethylpiperidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCCN1CCC[C@H](NC(=O)[C@H]2C[C@H](O)CN2)C1
InChIInChI=1S/C12H23N3O2/c1-2-15-5-3-4-9(8-15)14-12(17)11-6-10(16)7-13-11/h9-11,13,16H,2-8H2,1H3,(H,14,17)/t9-,10-,11+/m0/s1
InChIKeyASEMRJAIODUTJP-GARJFASQSA-N
XLogP-0.69
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-(1-methylpiperidin-3-yl)pyrrolidine-2-carboxamide
CID 61212180
(2S,4R)-N-cyclobutyl-4-hydroxypyrrolidine-2-carboxamide
CID 66855041
4-hydroxy-N-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119834916
(2R,4S)-4-hydroxy-N-[(3S)-1-(4-methylphenyl)piperidin-3-yl]pyrrolidine-2-carboxamide
CID 125138833
N-(3-ethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide
CID 64748039
4-hydroxy-N-(3-methylcyclohexyl)pyrrolidine-2-carboxamide
CID 43317965
1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589989
1-cyclopropyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589816
3-amino-N-(1-ethylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride
CID 119862380
N-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]acetamide
CID 54872034
ethyl N-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-3-yl]carbamate
CID 60962909
4-hydroxy-N-(thian-3-yl)pyrrolidine-2-carboxamide
CID 115740732

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-[(3S)-1-ethylpiperidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-N-[(3S)-1-ethylpiperidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide (CID 124832336) is (2R,4S)-N-[(3S)-1-ethylpiperidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-N-[(3S)-1-ethylpiperidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-N-[(3S)-1-ethylpiperidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide is CCN1CCC[C@H](NC(=O)[C@H]2C[C@H](O)CN2)C1.
What is the InChIKey of (2R,4S)-N-[(3S)-1-ethylpiperidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is ASEMRJAIODUTJP-GARJFASQSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-2-15-5-3-4-9(8-15)14-12(17)11-6-10(16)7-13-11/h9-11,13,16H,2-8H2,1H3,(H,14,17)/t9-,10-,11+/m0/s1.
What are the key properties of (2R,4S)-N-[(3S)-1-ethylpiperidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide?
(2R,4S)-N-[(3S)-1-ethylpiperidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 241.33 g/mol, XLogP of -0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-[(3S)-1-ethylpiperidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 124832336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).