4-hydroxy-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide

C19H29N3O2 — CID 119867415

IUPAC4-hydroxy-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCC1CCN(Cc2cccc(CNC(=O)C3CC(O)CN3)c2)CC1
InChIInChI=1S/C19H29N3O2/c1-14-5-7-22(8-6-14)13-16-4-2-3-15(9-16)11-21-19(24)18-10-17(23)12-20-18/h2-4,9,14,17-18,20,23H,5-8,10-13H2,1H3,(H,21,24)
InChIKeyUTKSCZFPKRJQAW-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.26
Rot. Bonds5

About 4-hydroxy-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide

4-hydroxy-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 119867415) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-hydroxy-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID119867415
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name4-hydroxy-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCC1CCN(Cc2cccc(CNC(=O)C3CC(O)CN3)c2)CC1
InChIInChI=1S/C19H29N3O2/c1-14-5-7-22(8-6-14)13-16-4-2-3-15(9-16)11-21-19(24)18-10-17(23)12-20-18/h2-4,9,14,17-18,20,23H,5-8,10-13H2,1H3,(H,21,24)
InChIKeyUTKSCZFPKRJQAW-UHFFFAOYSA-N
XLogP1.26
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 100647209
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119842520
(2S,4R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125150535
(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 15482052
1-[(4-methylphenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917627
1-[(3-chlorophenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917663
1-[(3-methoxyphenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917843
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119867361
methyl 2-[3-[[(4-hydroxypyrrolidine-2-carbonyl)amino]methyl]phenoxy]acetate
CID 119787113
4-hydroxy-N-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119852977
3-amino-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
CID 119867445
(2S,4R)-4-hydroxy-N-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 170699848

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide (CID 119867415) is 4-hydroxy-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide is CC1CCN(Cc2cccc(CNC(=O)C3CC(O)CN3)c2)CC1.
What is the InChIKey of 4-hydroxy-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is UTKSCZFPKRJQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14-5-7-22(8-6-14)13-16-4-2-3-15(9-16)11-21-19(24)18-10-17(23)12-20-18/h2-4,9,14,17-18,20,23H,5-8,10-13H2,1H3,(H,21,24).
What are the key properties of 4-hydroxy-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide?
4-hydroxy-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119867415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).