N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-pyridin-2-ylpiperidine-1-carboxamide

C19H30N4O2 — CID 154799785

IUPACN-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-pyridin-2-ylpiperidine-1-carboxamide
SMILESCOCCN1CCCC1CNC(=O)N1CCC(c2ccccn2)CC1
InChIInChI=1S/C19H30N4O2/c1-25-14-13-22-10-4-5-17(22)15-21-19(24)23-11-7-16(8-12-23)18-6-2-3-9-20-18/h2-3,6,9,16-17H,4-5,7-8,10-15H2,1H3,(H,21,24)
InChIKeyXMHQXXOJSGQZRL-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.08
Rot. Bonds6

About N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-pyridin-2-ylpiperidine-1-carboxamide

N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-pyridin-2-ylpiperidine-1-carboxamide (PubChem CID 154799785) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-pyridin-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-pyridin-2-ylpiperidine-1-carboxamide
PubChem CID154799785
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-pyridin-2-ylpiperidine-1-carboxamide
SMILESCOCCN1CCCC1CNC(=O)N1CCC(c2ccccn2)CC1
InChIInChI=1S/C19H30N4O2/c1-25-14-13-22-10-4-5-17(22)15-21-19(24)23-11-7-16(8-12-23)18-6-2-3-9-20-18/h2-3,6,9,16-17H,4-5,7-8,10-15H2,1H3,(H,21,24)
InChIKeyXMHQXXOJSGQZRL-UHFFFAOYSA-N
XLogP2.08
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-phenylpropanamide
CID 120596413
ethane;methyl 3-pyridin-2-ylpyrrolidine-1-carboxylate
CID 123830280
2-(3-fluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]acetamide
CID 95296221
N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-methylsulfonylbenzamide
CID 95271489
1-(3-acetylphenyl)-3-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]urea
CID 95155114
1-(2,6-difluorophenyl)-N-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-methylpyrazole-3-carboxamide
CID 124861745
1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111006110
4-benzyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidine-1-carboxamide
CID 126433119
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614750
4-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113104916
1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methyl-3-(2-phenylethyl)guanidine
CID 111134605
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-N'-methyl-3-(phenylsulfanylmethyl)pyrrolidine-1-carboximidamide
CID 111748660

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-pyridin-2-ylpiperidine-1-carboxamide?
The IUPAC name of N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-pyridin-2-ylpiperidine-1-carboxamide (CID 154799785) is N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-pyridin-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-pyridin-2-ylpiperidine-1-carboxamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-pyridin-2-ylpiperidine-1-carboxamide is COCCN1CCCC1CNC(=O)N1CCC(c2ccccn2)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-pyridin-2-ylpiperidine-1-carboxamide?
The InChIKey is XMHQXXOJSGQZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-25-14-13-22-10-4-5-17(22)15-21-19(24)23-11-7-16(8-12-23)18-6-2-3-9-20-18/h2-3,6,9,16-17H,4-5,7-8,10-15H2,1H3,(H,21,24).
What are the key properties of N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-pyridin-2-ylpiperidine-1-carboxamide?
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-pyridin-2-ylpiperidine-1-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-pyridin-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 154799785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).