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

C14H29N3O2 — CID 79737359

IUPAC2-[4-(3-aminopropoxy)piperidin-1-yl]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CN1CCC(OCCCN)CC1
InChIInChI=1S/C14H29N3O2/c1-14(2,3)16-13(18)11-17-8-5-12(6-9-17)19-10-4-7-15/h12H,4-11,15H2,1-3H3,(H,16,18)
InChIKeyLDTDOFKRWPTVGH-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.73
Rot. Bonds6

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

2-[4-(3-aminopropoxy)piperidin-1-yl]-N-tert-butylacetamide (PubChem CID 79737359) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[4-(3-aminopropoxy)piperidin-1-yl]-N-tert-butylacetamide
PubChem CID79737359
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name2-[4-(3-aminopropoxy)piperidin-1-yl]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CN1CCC(OCCCN)CC1
InChIInChI=1S/C14H29N3O2/c1-14(2,3)16-13(18)11-17-8-5-12(6-9-17)19-10-4-7-15/h12H,4-11,15H2,1-3H3,(H,16,18)
InChIKeyLDTDOFKRWPTVGH-UHFFFAOYSA-N
XLogP0.73
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.73
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-tert-butylacetamide
CID 82693750
2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 79735210
ethyl N-[2-[4-(3-aminopropoxy)piperidin-1-yl]acetyl]carbamate
CID 79736925
2-[4-(3-aminopropoxy)piperidin-1-yl]-N-cyclopentylacetamide
CID 79737212
methyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 79737000
2-(4-aminopiperidin-1-yl)-N-tert-butylacetamide;dihydrochloride
CID 56773517
2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 79737494
3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropan-1-amine
CID 79737370
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
N-tert-butyl-2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide
CID 63848272

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-tert-butylacetamide?
The IUPAC name of 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-tert-butylacetamide (CID 79737359) is 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-tert-butylacetamide.
What is the SMILES notation for 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-tert-butylacetamide?
The canonical SMILES for 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-tert-butylacetamide is CC(C)(C)NC(=O)CN1CCC(OCCCN)CC1.
What is the InChIKey of 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-tert-butylacetamide?
The InChIKey is LDTDOFKRWPTVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-14(2,3)16-13(18)11-17-8-5-12(6-9-17)19-10-4-7-15/h12H,4-11,15H2,1-3H3,(H,16,18).
What are the key properties of 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-tert-butylacetamide?
2-[4-(3-aminopropoxy)piperidin-1-yl]-N-tert-butylacetamide has a molecular weight of 271.40 g/mol, XLogP of 0.73, 6 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-tert-butylacetamide is sourced from PubChem (CID 79737359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).