N-[(4-methylpiperidin-3-yl)methyl]-3-propoxypropanamide

C13H26N2O2 — CID 114955778

IUPACN-[(4-methylpiperidin-3-yl)methyl]-3-propoxypropanamide
SMILESCCCOCCC(=O)NCC1CNCCC1C
InChIInChI=1S/C13H26N2O2/c1-3-7-17-8-5-13(16)15-10-12-9-14-6-4-11(12)2/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyBLMKNOVOMFTEFZ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.16
Rot. Bonds7

About N-[(4-methylpiperidin-3-yl)methyl]-3-propoxypropanamide

N-[(4-methylpiperidin-3-yl)methyl]-3-propoxypropanamide (PubChem CID 114955778) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[(4-methylpiperidin-3-yl)methyl]-3-propoxypropanamide.

Molecular Properties

Compound NameN-[(4-methylpiperidin-3-yl)methyl]-3-propoxypropanamide
PubChem CID114955778
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[(4-methylpiperidin-3-yl)methyl]-3-propoxypropanamide
SMILESCCCOCCC(=O)NCC1CNCCC1C
InChIInChI=1S/C13H26N2O2/c1-3-7-17-8-5-13(16)15-10-12-9-14-6-4-11(12)2/h11-12,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyBLMKNOVOMFTEFZ-UHFFFAOYSA-N
XLogP1.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methylpiperidin-3-yl)methyl]propanamide
CID 114955720
4-methoxy-N-[(4-methylpiperidin-3-yl)methyl]butanamide
CID 114955807
4-methoxy-N-[(4-methylpiperidin-3-yl)methyl]pentanamide
CID 114955742
3,3-dimethyl-N-[(4-methylpiperidin-3-yl)methyl]butanamide
CID 114955766
N-(2-piperidin-4-ylethyl)-3-propoxypropanamide
CID 62714933
2-cyclohexyl-N-[(4-methylpiperidin-3-yl)methyl]acetamide
CID 114955699
3-(4-methoxyphenyl)-N-[(4-methylpiperidin-3-yl)methyl]propanamide
CID 114955725
N-[(4-methylpiperidin-3-yl)methyl]-3-(oxan-2-yl)propanamide
CID 114955758
N-(3-propoxypropyl)-3-pyrrolidin-3-ylpropanamide
CID 82941656
N-[(4-methylpiperidin-3-yl)methyl]-2-(oxolan-2-yl)acetamide
CID 114955706
N-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-1-carboxamide
CID 114955817
4-ethoxy-N-(pyrrolidin-3-ylmethyl)butanamide
CID 80564687

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylpiperidin-3-yl)methyl]-3-propoxypropanamide?
The IUPAC name of N-[(4-methylpiperidin-3-yl)methyl]-3-propoxypropanamide (CID 114955778) is N-[(4-methylpiperidin-3-yl)methyl]-3-propoxypropanamide.
What is the SMILES notation for N-[(4-methylpiperidin-3-yl)methyl]-3-propoxypropanamide?
The canonical SMILES for N-[(4-methylpiperidin-3-yl)methyl]-3-propoxypropanamide is CCCOCCC(=O)NCC1CNCCC1C.
What is the InChIKey of N-[(4-methylpiperidin-3-yl)methyl]-3-propoxypropanamide?
The InChIKey is BLMKNOVOMFTEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-7-17-8-5-13(16)15-10-12-9-14-6-4-11(12)2/h11-12,14H,3-10H2,1-2H3,(H,15,16).
What are the key properties of N-[(4-methylpiperidin-3-yl)methyl]-3-propoxypropanamide?
N-[(4-methylpiperidin-3-yl)methyl]-3-propoxypropanamide has a molecular weight of 242.36 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylpiperidin-3-yl)methyl]-3-propoxypropanamide is sourced from PubChem (CID 114955778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).