4-[4-(3-aminopropoxy)piperidin-1-yl]-N,N-dimethylbutanamide

C14H29N3O2 — CID 79736085

IUPAC4-[4-(3-aminopropoxy)piperidin-1-yl]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCN1CCC(OCCCN)CC1
InChIInChI=1S/C14H29N3O2/c1-16(2)14(18)5-3-9-17-10-6-13(7-11-17)19-12-4-8-15/h13H,3-12,15H2,1-2H3
InChIKeyMIARVXKZPZMCCW-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.68
Rot. Bonds8

About 4-[4-(3-aminopropoxy)piperidin-1-yl]-N,N-dimethylbutanamide

4-[4-(3-aminopropoxy)piperidin-1-yl]-N,N-dimethylbutanamide (PubChem CID 79736085) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 4-[4-(3-aminopropoxy)piperidin-1-yl]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[4-(3-aminopropoxy)piperidin-1-yl]-N,N-dimethylbutanamide
PubChem CID79736085
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name4-[4-(3-aminopropoxy)piperidin-1-yl]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCN1CCC(OCCCN)CC1
InChIInChI=1S/C14H29N3O2/c1-16(2)14(18)5-3-9-17-10-6-13(7-11-17)19-12-4-8-15/h13H,3-12,15H2,1-2H3
InChIKeyMIARVXKZPZMCCW-UHFFFAOYSA-N
XLogP0.68
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(3-aminopropoxy)piperidin-1-yl]pentanamide
CID 114281721
3-[4-(3-aminopropoxy)piperidin-1-yl]propanoic acid
CID 79737054
3-[1-(3-ethoxypropyl)piperidin-4-yl]oxypropan-1-amine
CID 79736553
3-[4-(3-aminopropoxy)piperidin-1-yl]propan-1-ol
CID 79735052
ethyl N-[2-[4-(3-aminopropoxy)piperidin-1-yl]acetyl]carbamate
CID 79736925
3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]oxypropan-1-amine
CID 113326655
3-[4-(3-aminopropoxy)piperidin-1-yl]-2-methylpropanamide
CID 79735235
3-[1-(2-aminoethyl)piperidin-4-yl]oxypropanoic acid
CID 63904578
methyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 79737000
2-[4-(3-aminopropoxy)piperidin-1-yl]-N-tert-butylacetamide
CID 79737359
1-[4-(3-aminopropoxy)piperidin-1-yl]prop-2-yn-1-one
CID 79735337
[4-(3-aminopropoxy)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79735842

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-aminopropoxy)piperidin-1-yl]-N,N-dimethylbutanamide?
The IUPAC name of 4-[4-(3-aminopropoxy)piperidin-1-yl]-N,N-dimethylbutanamide (CID 79736085) is 4-[4-(3-aminopropoxy)piperidin-1-yl]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[4-(3-aminopropoxy)piperidin-1-yl]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[4-(3-aminopropoxy)piperidin-1-yl]-N,N-dimethylbutanamide is CN(C)C(=O)CCCN1CCC(OCCCN)CC1.
What is the InChIKey of 4-[4-(3-aminopropoxy)piperidin-1-yl]-N,N-dimethylbutanamide?
The InChIKey is MIARVXKZPZMCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-16(2)14(18)5-3-9-17-10-6-13(7-11-17)19-12-4-8-15/h13H,3-12,15H2,1-2H3.
What are the key properties of 4-[4-(3-aminopropoxy)piperidin-1-yl]-N,N-dimethylbutanamide?
4-[4-(3-aminopropoxy)piperidin-1-yl]-N,N-dimethylbutanamide has a molecular weight of 271.40 g/mol, XLogP of 0.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-aminopropoxy)piperidin-1-yl]-N,N-dimethylbutanamide is sourced from PubChem (CID 79736085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).