N-methyl-N-(2-methyloxolan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide

C16H25N3O2 — CID 82736657

IUPACN-methyl-N-(2-methyloxolan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
SMILESCC1OCCC1N(C)C(=O)c1cccn1C1CCNCC1
InChIInChI=1S/C16H25N3O2/c1-12-14(7-11-21-12)18(2)16(20)15-4-3-10-19(15)13-5-8-17-9-6-13/h3-4,10,12-14,17H,5-9,11H2,1-2H3
InChIKeySGSTXCOCDRQQGX-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.66
Rot. Bonds3

About N-methyl-N-(2-methyloxolan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide

N-methyl-N-(2-methyloxolan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide (PubChem CID 82736657) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-methyl-N-(2-methyloxolan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methyloxolan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
PubChem CID82736657
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-methyl-N-(2-methyloxolan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
SMILESCC1OCCC1N(C)C(=O)c1cccn1C1CCNCC1
InChIInChI=1S/C16H25N3O2/c1-12-14(7-11-21-12)18(2)16(20)15-4-3-10-19(15)13-5-8-17-9-6-13/h3-4,10,12-14,17H,5-9,11H2,1-2H3
InChIKeySGSTXCOCDRQQGX-UHFFFAOYSA-N
XLogP1.66
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-pentan-3-yl-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62717118
N-methyl-N-(2-methylbutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 63965050
4-bromo-1-cyclopropyl-N-methyl-N-(2-methyloxolan-3-yl)pyrrole-2-carboxamide
CID 82738456
N-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 62715231
3-[methyl-(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid
CID 62715589
N-ethyl-1-piperidin-4-yl-N-propan-2-ylpyrrole-2-carboxamide
CID 62716450
N-[(2,2-dimethylcyclopropyl)methyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103811345
N-(2-methoxyethyl)-N-methyl-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62715240
N-cyclopentyl-N-ethyl-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62716452
N-(oxolan-2-ylmethyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62716770
morpholin-4-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 62715735
cyclopropyl-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 116564829

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methyloxolan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide?
The IUPAC name of N-methyl-N-(2-methyloxolan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide (CID 82736657) is N-methyl-N-(2-methyloxolan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methyloxolan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide?
The canonical SMILES for N-methyl-N-(2-methyloxolan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide is CC1OCCC1N(C)C(=O)c1cccn1C1CCNCC1.
What is the InChIKey of N-methyl-N-(2-methyloxolan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide?
The InChIKey is SGSTXCOCDRQQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-14(7-11-21-12)18(2)16(20)15-4-3-10-19(15)13-5-8-17-9-6-13/h3-4,10,12-14,17H,5-9,11H2,1-2H3.
What are the key properties of N-methyl-N-(2-methyloxolan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide?
N-methyl-N-(2-methyloxolan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methyloxolan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide is sourced from PubChem (CID 82736657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).