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

C14H27N3O2 — CID 79735210

IUPAC2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide
SMILESNCCCOC1CCN(CC(=O)NCC2CC2)CC1
InChIInChI=1S/C14H27N3O2/c15-6-1-9-19-13-4-7-17(8-5-13)11-14(18)16-10-12-2-3-12/h12-13H,1-11,15H2,(H,16,18)
InChIKeyIIVSMEQCFPUTCK-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.34
Rot. Bonds8

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

2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide (PubChem CID 79735210) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide
PubChem CID79735210
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide
SMILESNCCCOC1CCN(CC(=O)NCC2CC2)CC1
InChIInChI=1S/C14H27N3O2/c15-6-1-9-19-13-4-7-17(8-5-13)11-14(18)16-10-12-2-3-12/h12-13H,1-11,15H2,(H,16,18)
InChIKeyIIVSMEQCFPUTCK-UHFFFAOYSA-N
XLogP0.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.34
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-(2-aminoethoxy)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 82693316
2-[4-(3-aminopropoxy)piperidin-1-yl]-N-cyclopentylacetamide
CID 79737212
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
3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropan-1-amine
CID 79737370
methyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 79737000
N-(cyclopropylmethyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248525
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
N-(cyclopropylmethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63848050
2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 79737494

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide (CID 79735210) is 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide is NCCCOC1CCN(CC(=O)NCC2CC2)CC1.
What is the InChIKey of 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide?
The InChIKey is IIVSMEQCFPUTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c15-6-1-9-19-13-4-7-17(8-5-13)11-14(18)16-10-12-2-3-12/h12-13H,1-11,15H2,(H,16,18).
What are the key properties of 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide?
2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide has a molecular weight of 269.39 g/mol, XLogP of 0.34, 8 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-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 79735210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).