2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(cyclopenten-1-yl)-N-methylacetamide

C16H29N3O2 — CID 79736879

IUPAC2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(cyclopenten-1-yl)-N-methylacetamide
SMILESCN(C(=O)CN1CCC(OCCCN)CC1)C1=CCCC1
InChIInChI=1S/C16H29N3O2/c1-18(14-5-2-3-6-14)16(20)13-19-10-7-15(8-11-19)21-12-4-9-17/h5,15H,2-4,6-13,17H2,1H3
InChIKeyDYWIASNBWMQLHA-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.34
Rot. Bonds7

About 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(cyclopenten-1-yl)-N-methylacetamide

2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(cyclopenten-1-yl)-N-methylacetamide (PubChem CID 79736879) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(cyclopenten-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(cyclopenten-1-yl)-N-methylacetamide
PubChem CID79736879
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(cyclopenten-1-yl)-N-methylacetamide
SMILESCN(C(=O)CN1CCC(OCCCN)CC1)C1=CCCC1
InChIInChI=1S/C16H29N3O2/c1-18(14-5-2-3-6-14)16(20)13-19-10-7-15(8-11-19)21-12-4-9-17/h5,15H,2-4,6-13,17H2,1H3
InChIKeyDYWIASNBWMQLHA-UHFFFAOYSA-N
XLogP1.34
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.34
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(cyclopenten-1-yl)-N-methylacetamide?
The IUPAC name of 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(cyclopenten-1-yl)-N-methylacetamide (CID 79736879) is 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(cyclopenten-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(cyclopenten-1-yl)-N-methylacetamide?
The canonical SMILES for 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(cyclopenten-1-yl)-N-methylacetamide is CN(C(=O)CN1CCC(OCCCN)CC1)C1=CCCC1.
What is the InChIKey of 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(cyclopenten-1-yl)-N-methylacetamide?
The InChIKey is DYWIASNBWMQLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-18(14-5-2-3-6-14)16(20)13-19-10-7-15(8-11-19)21-12-4-9-17/h5,15H,2-4,6-13,17H2,1H3.
What are the key properties of 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(cyclopenten-1-yl)-N-methylacetamide?
2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(cyclopenten-1-yl)-N-methylacetamide has a molecular weight of 295.43 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(cyclopenten-1-yl)-N-methylacetamide is sourced from PubChem (CID 79736879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).