N-[[(3R,4R)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]methyl]pyrrolidine-1-carboxamide

C18H31N5O2 — CID 164638633

IUPACN-[[(3R,4R)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]methyl]pyrrolidine-1-carboxamide
SMILESCCn1ncc(CN2CC[C@H](CNC(=O)N3CCCC3)[C@@H](O)C2)c1C
InChIInChI=1S/C18H31N5O2/c1-3-23-14(2)16(11-20-23)12-21-9-6-15(17(24)13-21)10-19-18(25)22-7-4-5-8-22/h11,15,17,24H,3-10,12-13H2,1-2H3,(H,19,25)/t15-,17+/m1/s1
InChIKeyWRLMEMHOAYMUBD-WBVHZDCISA-N
MW349.48 g/mol
LogP1.20
Rot. Bonds5

About N-[[(3R,4R)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]methyl]pyrrolidine-1-carboxamide

N-[[(3R,4R)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]methyl]pyrrolidine-1-carboxamide (PubChem CID 164638633) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[[(3R,4R)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[(3R,4R)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]methyl]pyrrolidine-1-carboxamide
PubChem CID164638633
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC NameN-[[(3R,4R)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]methyl]pyrrolidine-1-carboxamide
SMILESCCn1ncc(CN2CC[C@H](CNC(=O)N3CCCC3)[C@@H](O)C2)c1C
InChIInChI=1S/C18H31N5O2/c1-3-23-14(2)16(11-20-23)12-21-9-6-15(17(24)13-21)10-19-18(25)22-7-4-5-8-22/h11,15,17,24H,3-10,12-13H2,1-2H3,(H,19,25)/t15-,17+/m1/s1
InChIKeyWRLMEMHOAYMUBD-WBVHZDCISA-N
XLogP1.20
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide
CID 17269940
(3R,4S)-4-hydroxy-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 165423805
methyl 2-[[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine-1-carbonyl]amino]benzoate
CID 2206454
[4-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 42242129
N-[[(3S,4S)-3-hydroxy-1-(5-methoxyfuran-2-carbonyl)piperidin-4-yl]methyl]pyrrolidine-1-carboxamide
CID 56896856
(2S)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)morpholine-4-carboxamide
CID 125439279
(3R,5R)-5-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-1-methylpyrrolidine-3-carboxamide
CID 92589623
(4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone
CID 25374648
1-[(1-ethylpiperidin-4-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63032278
N-[(4-ethylcyclohexyl)methyl]pyrrolidine-1-carboxamide
CID 115590481
N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide
CID 99589276
2-[(3S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 92589629

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,4R)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[[(3R,4R)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]methyl]pyrrolidine-1-carboxamide (CID 164638633) is N-[[(3R,4R)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[(3R,4R)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[[(3R,4R)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]methyl]pyrrolidine-1-carboxamide is CCn1ncc(CN2CC[C@H](CNC(=O)N3CCCC3)[C@@H](O)C2)c1C.
What is the InChIKey of N-[[(3R,4R)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is WRLMEMHOAYMUBD-WBVHZDCISA-N. The full InChI is InChI=1S/C18H31N5O2/c1-3-23-14(2)16(11-20-23)12-21-9-6-15(17(24)13-21)10-19-18(25)22-7-4-5-8-22/h11,15,17,24H,3-10,12-13H2,1-2H3,(H,19,25)/t15-,17+/m1/s1.
What are the key properties of N-[[(3R,4R)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]methyl]pyrrolidine-1-carboxamide?
N-[[(3R,4R)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,4R)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 164638633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).