N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-N-methyl-1-propan-2-ylpyrrole-2-carboxamide

C17H29N3O2 — CID 91829010

IUPACN-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cccc1C(=O)N(C)CC1CCN(CCO)CC1
InChIInChI=1S/C17H29N3O2/c1-14(2)20-8-4-5-16(20)17(22)18(3)13-15-6-9-19(10-7-15)11-12-21/h4-5,8,14-15,21H,6-7,9-13H2,1-3H3
InChIKeyWIHLNJQJECWEGR-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.85
Rot. Bonds6

About N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-N-methyl-1-propan-2-ylpyrrole-2-carboxamide

N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-N-methyl-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 91829010) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-N-methyl-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID91829010
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC NameN-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cccc1C(=O)N(C)CC1CCN(CCO)CC1
InChIInChI=1S/C17H29N3O2/c1-14(2)20-8-4-5-16(20)17(22)18(3)13-15-6-9-19(10-7-15)11-12-21/h4-5,8,14-15,21H,6-7,9-13H2,1-3H3
InChIKeyWIHLNJQJECWEGR-UHFFFAOYSA-N
XLogP1.85
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(2-hydroxyethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61233452
N-(2-hydroxyethyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide
CID 43639218
1-cyclopropyl-N-(2-hydroxyethyl)-N-methylpyrrole-2-carboxamide
CID 60962060
2-[(3S)-3-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanol
CID 96554122
N,1-dimethyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 96578217
1-propan-2-yl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]pyrrole-2-carboxamide
CID 129329776
2-[3-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]ethanol
CID 66567812
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 25454045
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(1-methylpyrrol-2-yl)ethanone
CID 63273927
N-(2-cyclopropyl-2-oxoethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 136529784
N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-N,1,2-trimethylpyrrole-3-carboxamide
CID 126805110

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-N-methyl-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-N-methyl-1-propan-2-ylpyrrole-2-carboxamide (CID 91829010) is N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-N-methyl-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-N-methyl-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-N-methyl-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cccc1C(=O)N(C)CC1CCN(CCO)CC1.
What is the InChIKey of N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-N-methyl-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is WIHLNJQJECWEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-14(2)20-8-4-5-16(20)17(22)18(3)13-15-6-9-19(10-7-15)11-12-21/h4-5,8,14-15,21H,6-7,9-13H2,1-3H3.
What are the key properties of N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-N-methyl-1-propan-2-ylpyrrole-2-carboxamide?
N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-N-methyl-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-N-methyl-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 91829010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).