N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanamide

C14H29N3O — CID 63890612

IUPACN-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanamide
SMILESCCCNCC1CCCN(CCCC(=O)NC)C1
InChIInChI=1S/C14H29N3O/c1-3-8-16-11-13-6-4-9-17(12-13)10-5-7-14(18)15-2/h13,16H,3-12H2,1-2H3,(H,15,18)
InChIKeyDBTZYLNTSPWZFN-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.22
Rot. Bonds8

About N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanamide

N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanamide (PubChem CID 63890612) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanamide.

Molecular Properties

Compound NameN-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanamide
PubChem CID63890612
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanamide
SMILESCCCNCC1CCCN(CCCC(=O)NC)C1
InChIInChI=1S/C14H29N3O/c1-3-8-16-11-13-6-4-9-17(12-13)10-5-7-14(18)15-2/h13,16H,3-12H2,1-2H3,(H,15,18)
InChIKeyDBTZYLNTSPWZFN-UHFFFAOYSA-N
XLogP1.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.22
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-[(1-decylpiperidin-3-yl)methyl]propan-1-amine
CID 63528370
N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-1-amine
CID 62582031
N-methyl-4-[(1-methylpiperidin-3-yl)methylamino]butanamide
CID 63892274
4-(3-hydroxypiperidin-1-yl)-N-methylbutanamide
CID 63892540
N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]propan-1-amine
CID 62581675
3-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide
CID 62324485
N-(3-methylbutan-2-yl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63847249
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-methylacetamide
CID 63849498
4-[3-(aminomethyl)pyrrolidin-1-yl]-N-methylbutanamide
CID 63891241
2,2-dimethyl-5-[3-(propylaminomethyl)piperidin-1-yl]pentanenitrile
CID 65254674
2,2-dimethyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanenitrile
CID 65252040
N-[[1-[2-(2-methylpropoxy)ethyl]piperidin-3-yl]methyl]propan-1-amine
CID 106453494

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanamide?
The IUPAC name of N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanamide (CID 63890612) is N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanamide.
What is the SMILES notation for N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanamide?
The canonical SMILES for N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanamide is CCCNCC1CCCN(CCCC(=O)NC)C1.
What is the InChIKey of N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanamide?
The InChIKey is DBTZYLNTSPWZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-3-8-16-11-13-6-4-9-17(12-13)10-5-7-14(18)15-2/h13,16H,3-12H2,1-2H3,(H,15,18).
What are the key properties of N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanamide?
N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanamide has a molecular weight of 255.41 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanamide is sourced from PubChem (CID 63890612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).