(2R,4S)-4-hydroxy-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide

C12H23N3O2 — CID 94229368

IUPAC(2R,4S)-4-hydroxy-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCN1CCCCC1)[C@H]1C[C@H](O)CN1
InChIInChI=1S/C12H23N3O2/c16-10-8-11(14-9-10)12(17)13-4-7-15-5-2-1-3-6-15/h10-11,14,16H,1-9H2,(H,13,17)/t10-,11+/m0/s1
InChIKeyXMQJPUKDKAHFOP-WDEREUQCSA-N
MW241.33 g/mol
LogP-0.69
Rot. Bonds4

About (2R,4S)-4-hydroxy-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide

(2R,4S)-4-hydroxy-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide (PubChem CID 94229368) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is (2R,4S)-4-hydroxy-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-4-hydroxy-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide
PubChem CID94229368
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name(2R,4S)-4-hydroxy-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCN1CCCCC1)[C@H]1C[C@H](O)CN1
InChIInChI=1S/C12H23N3O2/c16-10-8-11(14-9-10)12(17)13-4-7-15-5-2-1-3-6-15/h10-11,14,16H,1-9H2,(H,13,17)/t10-,11+/m0/s1
InChIKeyXMQJPUKDKAHFOP-WDEREUQCSA-N
XLogP-0.69
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119902206
N-[2-(cyclopropanecarbonylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 115738030
(2S)-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 61154018
(2R,4R)-N-(2-aminoethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 130652446
4-hydroxy-N-[4-(2-methylpiperidin-1-yl)butyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119852622
4-ethyl-N-(2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide
CID 114428071
4-hydroxy-N-octylpyrrolidine-2-carboxamide
CID 113337253
(2S,4S)-N-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 28943524
(2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 28943534
4-hydroxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119860703
4-hydroxy-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119861445
(2S,4S)-N-[2-(azepan-1-yl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120632718

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-hydroxy-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-4-hydroxy-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide (CID 94229368) is (2R,4S)-4-hydroxy-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-4-hydroxy-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-4-hydroxy-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide is O=C(NCCN1CCCCC1)[C@H]1C[C@H](O)CN1.
What is the InChIKey of (2R,4S)-4-hydroxy-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide?
The InChIKey is XMQJPUKDKAHFOP-WDEREUQCSA-N. The full InChI is InChI=1S/C12H23N3O2/c16-10-8-11(14-9-10)12(17)13-4-7-15-5-2-1-3-6-15/h10-11,14,16H,1-9H2,(H,13,17)/t10-,11+/m0/s1.
What are the key properties of (2R,4S)-4-hydroxy-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide?
(2R,4S)-4-hydroxy-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide has a molecular weight of 241.33 g/mol, XLogP of -0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-hydroxy-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 94229368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).