N-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-1-carboxamide

C12H23N3O — CID 114955817

IUPACN-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-1-carboxamide
SMILESCC1CCNCC1CNC(=O)N1CCCC1
InChIInChI=1S/C12H23N3O/c1-10-4-5-13-8-11(10)9-14-12(16)15-6-2-3-7-15/h10-11,13H,2-9H2,1H3,(H,14,16)
InChIKeyNFBUXUFBEINRCC-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.04
Rot. Bonds2

About N-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-1-carboxamide

N-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 114955817) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID114955817
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-1-carboxamide
SMILESCC1CCNCC1CNC(=O)N1CCCC1
InChIInChI=1S/C12H23N3O/c1-10-4-5-13-8-11(10)9-14-12(16)15-6-2-3-7-15/h10-11,13H,2-9H2,1H3,(H,14,16)
InChIKeyNFBUXUFBEINRCC-UHFFFAOYSA-N
XLogP1.04
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylpiperidin-3-yl)methyl]propanamide
CID 114955720
N-(4-methylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 79161523
N-(piperidin-3-ylmethyl)azepane-1-carboxamide
CID 79152631
2-cyclohexyl-N-[(4-methylpiperidin-3-yl)methyl]acetamide
CID 114955699
3,3-dimethyl-N-[(4-methylpiperidin-3-yl)methyl]butanamide
CID 114955766
N-[(4-methylpiperidin-3-yl)methyl]-2-(oxolan-2-yl)acetamide
CID 114955706
N-(3-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 79886370
N-[(4-methylpiperidin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 114955797
N-(2-pyrrolidin-3-ylethyl)piperidine-1-carboxamide
CID 79156274
N-[(2-methyloxolan-3-yl)methyl]azepane-1-carboxamide
CID 114105361
N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyrrolidine-1-carboxamide
CID 79162228
4-methoxy-N-[(4-methylpiperidin-3-yl)methyl]butanamide
CID 114955807

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-1-carboxamide (CID 114955817) is N-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-1-carboxamide is CC1CCNCC1CNC(=O)N1CCCC1.
What is the InChIKey of N-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is NFBUXUFBEINRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10-4-5-13-8-11(10)9-14-12(16)15-6-2-3-7-15/h10-11,13H,2-9H2,1H3,(H,14,16).
What are the key properties of N-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-1-carboxamide?
N-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 225.34 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 114955817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).