[4-(3-aminopropoxy)piperidin-1-yl]-(1-benzoylpiperidin-3-yl)methanone

C21H31N3O3 — CID 119664357

IUPAC[4-(3-aminopropoxy)piperidin-1-yl]-(1-benzoylpiperidin-3-yl)methanone
SMILESNCCCOC1CCN(C(=O)C2CCCN(C(=O)c3ccccc3)C2)CC1
InChIInChI=1S/C21H31N3O3/c22-11-5-15-27-19-9-13-23(14-10-19)21(26)18-8-4-12-24(16-18)20(25)17-6-2-1-3-7-17/h1-3,6-7,18-19H,4-5,8-16,22H2
InChIKeyZUELALOLIHQHRT-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.90
Rot. Bonds6

About [4-(3-aminopropoxy)piperidin-1-yl]-(1-benzoylpiperidin-3-yl)methanone

[4-(3-aminopropoxy)piperidin-1-yl]-(1-benzoylpiperidin-3-yl)methanone (PubChem CID 119664357) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is [4-(3-aminopropoxy)piperidin-1-yl]-(1-benzoylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name[4-(3-aminopropoxy)piperidin-1-yl]-(1-benzoylpiperidin-3-yl)methanone
PubChem CID119664357
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name[4-(3-aminopropoxy)piperidin-1-yl]-(1-benzoylpiperidin-3-yl)methanone
SMILESNCCCOC1CCN(C(=O)C2CCCN(C(=O)c3ccccc3)C2)CC1
InChIInChI=1S/C21H31N3O3/c22-11-5-15-27-19-9-13-23(14-10-19)21(26)18-8-4-12-24(16-18)20(25)17-6-2-1-3-7-17/h1-3,6-7,18-19H,4-5,8-16,22H2
InChIKeyZUELALOLIHQHRT-UHFFFAOYSA-N
XLogP1.90
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.90
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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Related Compounds

3-[4-(3-aminopropoxy)piperidine-1-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
CID 119661869
[4-(3-aminopropoxy)piperidin-1-yl]-(4-phenylcyclohexyl)methanone
CID 119663109
1-[2-[4-(3-aminopropoxy)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone
CID 119663026
[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 51927556
[4-(3-aminopropoxy)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
CID 79732328
[4-(3-aminopropoxy)piperidin-1-yl]-(3-bromophenyl)methanone
CID 79735516
[4-(3-aminopropoxy)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79735842
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-benzoylpiperidin-3-yl)methanone
CID 120743578
propyl 1-benzoylpiperidine-3-carboxylate
CID 57315331
[4-(3-aminopropoxy)piperidin-1-yl]-(3-iodophenyl)methanone;hydrochloride
CID 119661929
phenyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 79736999
[4-(3-aminopropoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 119661915

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(1-benzoylpiperidin-3-yl)methanone?
The IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(1-benzoylpiperidin-3-yl)methanone (CID 119664357) is [4-(3-aminopropoxy)piperidin-1-yl]-(1-benzoylpiperidin-3-yl)methanone.
What is the SMILES notation for [4-(3-aminopropoxy)piperidin-1-yl]-(1-benzoylpiperidin-3-yl)methanone?
The canonical SMILES for [4-(3-aminopropoxy)piperidin-1-yl]-(1-benzoylpiperidin-3-yl)methanone is NCCCOC1CCN(C(=O)C2CCCN(C(=O)c3ccccc3)C2)CC1.
What is the InChIKey of [4-(3-aminopropoxy)piperidin-1-yl]-(1-benzoylpiperidin-3-yl)methanone?
The InChIKey is ZUELALOLIHQHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c22-11-5-15-27-19-9-13-23(14-10-19)21(26)18-8-4-12-24(16-18)20(25)17-6-2-1-3-7-17/h1-3,6-7,18-19H,4-5,8-16,22H2.
What are the key properties of [4-(3-aminopropoxy)piperidin-1-yl]-(1-benzoylpiperidin-3-yl)methanone?
[4-(3-aminopropoxy)piperidin-1-yl]-(1-benzoylpiperidin-3-yl)methanone has a molecular weight of 373.50 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopropoxy)piperidin-1-yl]-(1-benzoylpiperidin-3-yl)methanone is sourced from PubChem (CID 119664357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).