(2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide

C11H21N3O — CID 93446902

IUPAC(2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCN1C1CCNCC1
InChIInChI=1S/C11H21N3O/c1-12-11(15)10-3-2-8-14(10)9-4-6-13-7-5-9/h9-10,13H,2-8H2,1H3,(H,12,15)/t10-/m0/s1
InChIKeyIOSQHISAGWSRAQ-JTQLQIEISA-N
MW211.31 g/mol
LogP-0.05
Rot. Bonds2

About (2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide

(2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide (PubChem CID 93446902) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is (2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
PubChem CID93446902
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name(2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCN1C1CCNCC1
InChIInChI=1S/C11H21N3O/c1-12-11(15)10-3-2-8-14(10)9-4-6-13-7-5-9/h9-10,13H,2-8H2,1H3,(H,12,15)/t10-/m0/s1
InChIKeyIOSQHISAGWSRAQ-JTQLQIEISA-N
XLogP-0.05
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-N-methylpyrrolidine-2-carboxamide
CID 126990833
1-(4-hydroxycyclohexyl)-N-methylpyrrolidine-2-carboxamide
CID 114762479
N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 118534964
N-carbamoyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 79195257
2-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 61265351
(2S)-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 78967717
2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]acetic acid
CID 61158377
N-[(1R)-1-cyclopentylethyl]-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 81389308
(2S)-3-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 61174368
(2R)-3-methyl-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 79009572
methyl 2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoate
CID 61020231
N-[(2-methylcyclopentyl)methyl]-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 107418457

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide (CID 93446902) is (2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide is CNC(=O)[C@@H]1CCCN1C1CCNCC1.
What is the InChIKey of (2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide?
The InChIKey is IOSQHISAGWSRAQ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21N3O/c1-12-11(15)10-3-2-8-14(10)9-4-6-13-7-5-9/h9-10,13H,2-8H2,1H3,(H,12,15)/t10-/m0/s1.
What are the key properties of (2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide?
(2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide has a molecular weight of 211.31 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 93446902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).