6-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxamide

C12H23N3O — CID 104870094

IUPAC6-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C[C@@H]1CCCN1
InChIInChI=1S/C12H23N3O/c1-9-4-5-10(12(13)16)7-15(9)8-11-3-2-6-14-11/h9-11,14H,2-8H2,1H3,(H2,13,16)/t9?,10?,11-/m0/s1
InChIKeyYYJBHICKHGFVRN-ILDUYXDCSA-N
MW225.34 g/mol
LogP0.32
Rot. Bonds3

About 6-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxamide

6-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxamide (PubChem CID 104870094) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 6-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxamide
PubChem CID104870094
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name6-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C[C@@H]1CCCN1
InChIInChI=1S/C12H23N3O/c1-9-4-5-10(12(13)16)7-15(9)8-11-3-2-6-14-11/h9-11,14H,2-8H2,1H3,(H2,13,16)/t9?,10?,11-/m0/s1
InChIKeyYYJBHICKHGFVRN-ILDUYXDCSA-N
XLogP0.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of 6-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxamide (CID 104870094) is 6-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 6-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 6-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxamide is CC1CCC(C(N)=O)CN1C[C@@H]1CCCN1.
What is the InChIKey of 6-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxamide?
The InChIKey is YYJBHICKHGFVRN-ILDUYXDCSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9-4-5-10(12(13)16)7-15(9)8-11-3-2-6-14-11/h9-11,14H,2-8H2,1H3,(H2,13,16)/t9?,10?,11-/m0/s1.
What are the key properties of 6-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxamide?
6-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxamide has a molecular weight of 225.34 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 104870094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).