(2S)-2-amino-1-[4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one

C23H35N3O2 — CID 72839247

IUPAC(2S)-2-amino-1-[4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CCC(CCC(=O)N2CCC(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C23H35N3O2/c1-18(24)23(28)26-15-9-19(10-16-26)7-8-22(27)25-13-11-21(12-14-25)17-20-5-3-2-4-6-20/h2-6,18-19,21H,7-17,24H2,1H3/t18-/m0/s1
InChIKeyAKBVNLZZPCEIHD-SFHVURJKSA-N
MW385.55 g/mol
LogP2.83
Rot. Bonds6

About (2S)-2-amino-1-[4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one

(2S)-2-amino-1-[4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one (PubChem CID 72839247) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one
PubChem CID72839247
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name(2S)-2-amino-1-[4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CCC(CCC(=O)N2CCC(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C23H35N3O2/c1-18(24)23(28)26-15-9-19(10-16-26)7-8-22(27)25-13-11-21(12-14-25)17-20-5-3-2-4-6-20/h2-6,18-19,21H,7-17,24H2,1H3/t18-/m0/s1
InChIKeyAKBVNLZZPCEIHD-SFHVURJKSA-N
XLogP2.83
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-1-[4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

4-amino-1-(4-benzylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 120558672
(2R)-2-amino-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119276186
2-amino-1-(4-benzylpiperidin-1-yl)-3-methylbutan-1-one;hydrochloride
CID 119262390
(2R)-2-amino-1-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 103928446
(2S)-2-amino-1-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
CID 119671897
(4S)-4-amino-1-(4-benzylpiperidin-1-yl)-5-phenylpentan-1-one
CID 58723486
1-(4-benzylpiperidin-1-yl)-3-(1-piperidin-4-ylpiperidin-4-yl)propan-1-one;dihydrochloride
CID 154899916
1-(4-benzylpiperidin-1-yl)-3-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]propan-1-one
CID 42567654
5-(4-benzylpiperidin-1-yl)-5-oxopentanoic acid
CID 4305990
1-(4-benzylpiperidin-1-yl)-3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]propan-1-one
CID 45208663
1-(4-benzylpiperidin-1-yl)-3-[1-(5-methoxyfuran-2-carbonyl)piperidin-4-yl]propan-1-one
CID 42593363
(2S)-2-amino-1-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]propan-1-one;dihydrochloride
CID 119875257

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-amino-1-[4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one (CID 72839247) is (2S)-2-amino-1-[4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-amino-1-[4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one is C[C@H](N)C(=O)N1CCC(CCC(=O)N2CCC(Cc3ccccc3)CC2)CC1.
What is the InChIKey of (2S)-2-amino-1-[4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one?
The InChIKey is AKBVNLZZPCEIHD-SFHVURJKSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-18(24)23(28)26-15-9-19(10-16-26)7-8-22(27)25-13-11-21(12-14-25)17-20-5-3-2-4-6-20/h2-6,18-19,21H,7-17,24H2,1H3/t18-/m0/s1.
What are the key properties of (2S)-2-amino-1-[4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one?
(2S)-2-amino-1-[4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one has a molecular weight of 385.55 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 72839247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).