3-[1-[3-[(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]propanoyl]piperidin-4-yl]-N-phenylpropanamide

C23H33N3O2 — CID 45212166

IUPAC3-[1-[3-[(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]propanoyl]piperidin-4-yl]-N-phenylpropanamide
SMILESO=C(CCC1CCN(C(=O)CCN2C[C@@H]3CC[C@@H]2C3)CC1)Nc1ccccc1
InChIInChI=1S/C23H33N3O2/c27-22(24-20-4-2-1-3-5-20)9-7-18-10-13-25(14-11-18)23(28)12-15-26-17-19-6-8-21(26)16-19/h1-5,18-19,21H,6-17H2,(H,24,27)/t19-,21-/m1/s1
InChIKeyNFVJIOISAQICCK-TZIWHRDSSA-N
MW383.54 g/mol
LogP3.52
Rot. Bonds7

About 3-[1-[3-[(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]propanoyl]piperidin-4-yl]-N-phenylpropanamide

3-[1-[3-[(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]propanoyl]piperidin-4-yl]-N-phenylpropanamide (PubChem CID 45212166) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 3-[1-[3-[(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]propanoyl]piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[1-[3-[(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]propanoyl]piperidin-4-yl]-N-phenylpropanamide
PubChem CID45212166
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name3-[1-[3-[(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]propanoyl]piperidin-4-yl]-N-phenylpropanamide
SMILESO=C(CCC1CCN(C(=O)CCN2C[C@@H]3CC[C@@H]2C3)CC1)Nc1ccccc1
InChIInChI=1S/C23H33N3O2/c27-22(24-20-4-2-1-3-5-20)9-7-18-10-13-25(14-11-18)23(28)12-15-26-17-19-6-8-21(26)16-19/h1-5,18-19,21H,6-17H2,(H,24,27)/t19-,21-/m1/s1
InChIKeyNFVJIOISAQICCK-TZIWHRDSSA-N
XLogP3.52
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-4-yl]-N-phenylpropanamide
CID 42291468
3-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-1-[4-[[2-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]propan-1-one
CID 133127909
ethyl 4-[4-(3-anilino-3-oxopropyl)piperidin-1-yl]piperidine-1-carboxylate
CID 42148156
3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-phenylpropanamide
CID 42210371
3-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide
CID 91913390
3-[1-(3,5-dimethyl-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide
CID 26325271
3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-4-yl]-N-phenylpropanamide
CID 42557084
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-phenylpropanamide
CID 115647931
3-(1-benzoylpiperidin-4-yl)-N-(3-fluorophenyl)propanamide
CID 91913383
4-(3-cyclopentylpropanoylamino)-N-phenylpiperidine-1-carboxamide
CID 46700387
6-oxo-N-phenyl-6-piperidin-1-ylhexanamide
CID 10850910
4-morpholin-4-yl-4-oxo-N-phenylbutanamide
CID 9341047

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-[(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]propanoyl]piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of 3-[1-[3-[(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]propanoyl]piperidin-4-yl]-N-phenylpropanamide (CID 45212166) is 3-[1-[3-[(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]propanoyl]piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for 3-[1-[3-[(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]propanoyl]piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for 3-[1-[3-[(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]propanoyl]piperidin-4-yl]-N-phenylpropanamide is O=C(CCC1CCN(C(=O)CCN2C[C@@H]3CC[C@@H]2C3)CC1)Nc1ccccc1.
What is the InChIKey of 3-[1-[3-[(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]propanoyl]piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is NFVJIOISAQICCK-TZIWHRDSSA-N. The full InChI is InChI=1S/C23H33N3O2/c27-22(24-20-4-2-1-3-5-20)9-7-18-10-13-25(14-11-18)23(28)12-15-26-17-19-6-8-21(26)16-19/h1-5,18-19,21H,6-17H2,(H,24,27)/t19-,21-/m1/s1.
What are the key properties of 3-[1-[3-[(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]propanoyl]piperidin-4-yl]-N-phenylpropanamide?
3-[1-[3-[(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]propanoyl]piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 383.54 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-[(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]propanoyl]piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 45212166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).