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

C15H29N3O2 — CID 79737212

IUPAC2-[4-(3-aminopropoxy)piperidin-1-yl]-N-cyclopentylacetamide
SMILESNCCCOC1CCN(CC(=O)NC2CCCC2)CC1
InChIInChI=1S/C15H29N3O2/c16-8-3-11-20-14-6-9-18(10-7-14)12-15(19)17-13-4-1-2-5-13/h13-14H,1-12,16H2,(H,17,19)
InChIKeyKCDIRLHZUCBIKN-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.88
Rot. Bonds7

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

2-[4-(3-aminopropoxy)piperidin-1-yl]-N-cyclopentylacetamide (PubChem CID 79737212) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[4-(3-aminopropoxy)piperidin-1-yl]-N-cyclopentylacetamide
PubChem CID79737212
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name2-[4-(3-aminopropoxy)piperidin-1-yl]-N-cyclopentylacetamide
SMILESNCCCOC1CCN(CC(=O)NC2CCCC2)CC1
InChIInChI=1S/C15H29N3O2/c16-8-3-11-20-14-6-9-18(10-7-14)12-15(19)17-13-4-1-2-5-13/h13-14H,1-12,16H2,(H,17,19)
InChIKeyKCDIRLHZUCBIKN-UHFFFAOYSA-N
XLogP0.88
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 79735210
2-[4-(3-aminopropoxy)piperidin-1-yl]-N-tert-butylacetamide
CID 79737359
ethyl N-[2-[4-(3-aminopropoxy)piperidin-1-yl]acetyl]carbamate
CID 79736925
1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-3-cyclohexylurea;hydrochloride
CID 119664203
3-[4-(3-aminopropoxy)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
CID 119661869
3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropan-1-amine
CID 79737370
methyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 79737000
2-[4-(2-aminoethoxy)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 82693316
5-[4-(3-aminopropoxy)piperidin-1-yl]pentanamide
CID 114281721
3-[4-(3-aminopropoxy)piperidin-1-yl]propanoic acid
CID 79737054
2-[4-(2-aminoethoxy)piperidin-1-yl]-N-tert-butylacetamide
CID 82693750
1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119908022

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-cyclopentylacetamide?
The IUPAC name of 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-cyclopentylacetamide (CID 79737212) is 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-cyclopentylacetamide is NCCCOC1CCN(CC(=O)NC2CCCC2)CC1.
What is the InChIKey of 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-cyclopentylacetamide?
The InChIKey is KCDIRLHZUCBIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c16-8-3-11-20-14-6-9-18(10-7-14)12-15(19)17-13-4-1-2-5-13/h13-14H,1-12,16H2,(H,17,19).
What are the key properties of 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-cyclopentylacetamide?
2-[4-(3-aminopropoxy)piperidin-1-yl]-N-cyclopentylacetamide has a molecular weight of 283.42 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 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-cyclopentylacetamide is sourced from PubChem (CID 79737212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).