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

C21H33N3O3 — CID 119662177

IUPACN-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopentan-2-yl]-2-phenylacetamide
SMILESCCCC(NC(=O)Cc1ccccc1)C(=O)N1CCC(OCCCN)CC1
InChIInChI=1S/C21H33N3O3/c1-2-7-19(23-20(25)16-17-8-4-3-5-9-17)21(26)24-13-10-18(11-14-24)27-15-6-12-22/h3-5,8-9,18-19H,2,6-7,10-16,22H2,1H3,(H,23,25)
InChIKeyLAVAAIRAMZDSON-UHFFFAOYSA-N
MW375.51 g/mol
LogP1.87
Rot. Bonds10

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

N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopentan-2-yl]-2-phenylacetamide (PubChem CID 119662177) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopentan-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopentan-2-yl]-2-phenylacetamide
PubChem CID119662177
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC NameN-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopentan-2-yl]-2-phenylacetamide
SMILESCCCC(NC(=O)Cc1ccccc1)C(=O)N1CCC(OCCCN)CC1
InChIInChI=1S/C21H33N3O3/c1-2-7-19(23-20(25)16-17-8-4-3-5-9-17)21(26)24-13-10-18(11-14-24)27-15-6-12-22/h3-5,8-9,18-19H,2,6-7,10-16,22H2,1H3,(H,23,25)
InChIKeyLAVAAIRAMZDSON-UHFFFAOYSA-N
XLogP1.87
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 51.87
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

N-[1-(4-aminopiperidin-1-yl)-1-oxopentan-2-yl]-2-phenylacetamide
CID 119373638
N-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]-2-phenylacetamide
CID 119539209
1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-diphenylethanone
CID 119663605
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-benzylsulfanyl-3-methylbutan-1-one;hydrochloride
CID 119663139
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[ethyl(methyl)amino]-2-phenylethanone
CID 119663844
1-[1-[4-(3-aminopropoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-benzylurea;hydrochloride
CID 119663275
phenyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 79736999
N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide
CID 119661612
N-[1-(4-benzylpiperidin-1-yl)-1-oxopentan-2-yl]hexanamide
CID 42703671
N-[(2S)-1-oxo-1-(1,4-thiazepan-4-yl)pentan-2-yl]-2-phenylacetamide
CID 95171633
N-[1-(3-methylpiperazin-1-yl)-1-oxopentan-2-yl]-2-phenylacetamide
CID 119577162
1-[2-[4-(3-aminopropoxy)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone
CID 119663026

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopentan-2-yl]-2-phenylacetamide?
The IUPAC name of N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopentan-2-yl]-2-phenylacetamide (CID 119662177) is N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopentan-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopentan-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopentan-2-yl]-2-phenylacetamide is CCCC(NC(=O)Cc1ccccc1)C(=O)N1CCC(OCCCN)CC1.
What is the InChIKey of N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopentan-2-yl]-2-phenylacetamide?
The InChIKey is LAVAAIRAMZDSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-2-7-19(23-20(25)16-17-8-4-3-5-9-17)21(26)24-13-10-18(11-14-24)27-15-6-12-22/h3-5,8-9,18-19H,2,6-7,10-16,22H2,1H3,(H,23,25).
What are the key properties of N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopentan-2-yl]-2-phenylacetamide?
N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopentan-2-yl]-2-phenylacetamide has a molecular weight of 375.51 g/mol, XLogP of 1.87, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopentan-2-yl]-2-phenylacetamide is sourced from PubChem (CID 119662177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).