2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboxamide

C20H31N3O2 — CID 75476397

IUPAC2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboxamide
SMILESCCC1CCCCN1C(=O)NCc1ccccc1CN1CCC(O)C1
InChIInChI=1S/C20H31N3O2/c1-2-18-9-5-6-11-23(18)20(25)21-13-16-7-3-4-8-17(16)14-22-12-10-19(24)15-22/h3-4,7-8,18-19,24H,2,5-6,9-15H2,1H3,(H,21,25)
InChIKeyMWUNBBYSYSHFIO-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.73
Rot. Bonds5

About 2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboxamide

2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboxamide (PubChem CID 75476397) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboxamide
PubChem CID75476397
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboxamide
SMILESCCC1CCCCN1C(=O)NCc1ccccc1CN1CCC(O)C1
InChIInChI=1S/C20H31N3O2/c1-2-18-9-5-6-11-23(18)20(25)21-13-16-7-3-4-8-17(16)14-22-12-10-19(24)15-22/h3-4,7-8,18-19,24H,2,5-6,9-15H2,1H3,(H,21,25)
InChIKeyMWUNBBYSYSHFIO-UHFFFAOYSA-N
XLogP2.73
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 91660317
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 111520289
1-cyclopentyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]-5-methylpyrazole-4-carboxamide
CID 126768124
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
N-[(2-chlorophenyl)methyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
CID 108946579
2-ethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboxamide
CID 87004700
1,3-diethyl-2-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 110028751
(2R)-2-[(2-ethylpiperidine-1-carbonyl)amino]-2-phenylacetic acid
CID 61196822
5-[[(2-ethylazepane-1-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 104690956
N-[2-(dimethylamino)-2-phenylethyl]-2-ethylpiperidine-1-carboxamide
CID 86999382
1-butan-2-yl-3-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1-methylurea
CID 111796216
N-[(2-ethoxyphenyl)methyl]-2-methylpiperidine-1-carboxamide
CID 47376286

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of 2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboxamide (CID 75476397) is 2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboxamide is CCC1CCCCN1C(=O)NCc1ccccc1CN1CCC(O)C1.
What is the InChIKey of 2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is MWUNBBYSYSHFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-2-18-9-5-6-11-23(18)20(25)21-13-16-7-3-4-8-17(16)14-22-12-10-19(24)15-22/h3-4,7-8,18-19,24H,2,5-6,9-15H2,1H3,(H,21,25).
What are the key properties of 2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboxamide?
2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 75476397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).