N-[[1-[2-(4-hydroxy-3-methoxyphenyl)acetyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide

C20H29N3O4 — CID 166298536

IUPACN-[[1-[2-(4-hydroxy-3-methoxyphenyl)acetyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1cc(CC(=O)N2CCCC(CNC(=O)C3CCCN3)C2)ccc1O
InChIInChI=1S/C20H29N3O4/c1-27-18-10-14(6-7-17(18)24)11-19(25)23-9-3-4-15(13-23)12-22-20(26)16-5-2-8-21-16/h6-7,10,15-16,21,24H,2-5,8-9,11-13H2,1H3,(H,22,26)
InChIKeyNSPKTYUCVKTSGH-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.05
Rot. Bonds6

About N-[[1-[2-(4-hydroxy-3-methoxyphenyl)acetyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide

N-[[1-[2-(4-hydroxy-3-methoxyphenyl)acetyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 166298536) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[[1-[2-(4-hydroxy-3-methoxyphenyl)acetyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(4-hydroxy-3-methoxyphenyl)acetyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID166298536
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC NameN-[[1-[2-(4-hydroxy-3-methoxyphenyl)acetyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1cc(CC(=O)N2CCCC(CNC(=O)C3CCCN3)C2)ccc1O
InChIInChI=1S/C20H29N3O4/c1-27-18-10-14(6-7-17(18)24)11-19(25)23-9-3-4-15(13-23)12-22-20(26)16-5-2-8-21-16/h6-7,10,15-16,21,24H,2-5,8-9,11-13H2,1H3,(H,22,26)
InChIKeyNSPKTYUCVKTSGH-UHFFFAOYSA-N
XLogP1.05
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[[(3R)-1-butanoylpiperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 124574195
(2S)-N-[[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 100649814
(2S)-N-[[(3R)-1-(2,5-dimethylfuran-3-carbonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 124698807
(2S)-N-[(3-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 166226032
(2R)-N-[[(3R)-1-(2,3-dimethylbenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 100649892
(2R)-N-[[(3R)-1-(2-cyclopentylidenepropanoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 100649268
1-[3-(methylaminomethyl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 119397988
methyl 3-fluoro-4-[[3-[(pyrrolidine-2-carbonylamino)methyl]piperidine-1-carbonyl]amino]benzoate
CID 166402168
N-[[1-(3-methylbut-2-enoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 115556934
N-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119263557
(2S)-N-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 124700133
2-(4-hydroxy-3-methoxyphenyl)-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone
CID 124725307

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-hydroxy-3-methoxyphenyl)acetyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[[1-[2-(4-hydroxy-3-methoxyphenyl)acetyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide (CID 166298536) is N-[[1-[2-(4-hydroxy-3-methoxyphenyl)acetyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[1-[2-(4-hydroxy-3-methoxyphenyl)acetyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[[1-[2-(4-hydroxy-3-methoxyphenyl)acetyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide is COc1cc(CC(=O)N2CCCC(CNC(=O)C3CCCN3)C2)ccc1O.
What is the InChIKey of N-[[1-[2-(4-hydroxy-3-methoxyphenyl)acetyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is NSPKTYUCVKTSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-27-18-10-14(6-7-17(18)24)11-19(25)23-9-3-4-15(13-23)12-22-20(26)16-5-2-8-21-16/h6-7,10,15-16,21,24H,2-5,8-9,11-13H2,1H3,(H,22,26).
What are the key properties of N-[[1-[2-(4-hydroxy-3-methoxyphenyl)acetyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
N-[[1-[2-(4-hydroxy-3-methoxyphenyl)acetyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-hydroxy-3-methoxyphenyl)acetyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 166298536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).