[(3S,4S)-4-(1-amino-9H-fluoren-2-yl)-1-(cyclopropylmethyl)piperidin-3-yl]-[(2S)-2-phenylazetidin-1-yl]methanone

C32H35N3O — CID 158156537

IUPAC[(3S,4S)-4-(1-amino-9H-fluoren-2-yl)-1-(cyclopropylmethyl)piperidin-3-yl]-[(2S)-2-phenylazetidin-1-yl]methanone
SMILESNc1c([C@H]2CCN(CC3CC3)C[C@H]2C(=O)N2CC[C@H]2c2ccccc2)ccc2c1Cc1ccccc1-2
InChIInChI=1S/C32H35N3O/c33-31-27(13-12-25-24-9-5-4-8-23(24)18-28(25)31)26-14-16-34(19-21-10-11-21)20-29(26)32(36)35-17-15-30(35)22-6-2-1-3-7-22/h1-9,12-13,21,26,29-30H,10-11,14-20,33H2/t26-,29-,30+/m1/s1
InChIKeyIDZSOMKETLJNAQ-XUEBXJBISA-N
MW477.65 g/mol
LogP5.63
Rot. Bonds5

About [(3S,4S)-4-(1-amino-9H-fluoren-2-yl)-1-(cyclopropylmethyl)piperidin-3-yl]-[(2S)-2-phenylazetidin-1-yl]methanone

[(3S,4S)-4-(1-amino-9H-fluoren-2-yl)-1-(cyclopropylmethyl)piperidin-3-yl]-[(2S)-2-phenylazetidin-1-yl]methanone (PubChem CID 158156537) has the molecular formula C32H35N3O and a molecular weight of 477.65 g/mol. Its IUPAC name is [(3S,4S)-4-(1-amino-9H-fluoren-2-yl)-1-(cyclopropylmethyl)piperidin-3-yl]-[(2S)-2-phenylazetidin-1-yl]methanone.

Molecular Properties

Compound Name[(3S,4S)-4-(1-amino-9H-fluoren-2-yl)-1-(cyclopropylmethyl)piperidin-3-yl]-[(2S)-2-phenylazetidin-1-yl]methanone
PubChem CID158156537
Molecular FormulaC32H35N3O
Molecular Weight477.65 g/mol
Exact Mass477.28
IUPAC Name[(3S,4S)-4-(1-amino-9H-fluoren-2-yl)-1-(cyclopropylmethyl)piperidin-3-yl]-[(2S)-2-phenylazetidin-1-yl]methanone
SMILESNc1c([C@H]2CCN(CC3CC3)C[C@H]2C(=O)N2CC[C@H]2c2ccccc2)ccc2c1Cc1ccccc1-2
InChIInChI=1S/C32H35N3O/c33-31-27(13-12-25-24-9-5-4-8-23(24)18-28(25)31)26-14-16-34(19-21-10-11-21)20-29(26)32(36)35-17-15-30(35)22-6-2-1-3-7-22/h1-9,12-13,21,26,29-30H,10-11,14-20,33H2/t26-,29-,30+/m1/s1
InChIKeyIDZSOMKETLJNAQ-XUEBXJBISA-N
XLogP5.63
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.65
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4-(1-amino-9H-fluoren-2-yl)-1-(cyclopropylmethyl)piperidin-3-yl]-[(2S)-2-phenylazetidin-1-yl]methanone?
The IUPAC name of [(3S,4S)-4-(1-amino-9H-fluoren-2-yl)-1-(cyclopropylmethyl)piperidin-3-yl]-[(2S)-2-phenylazetidin-1-yl]methanone (CID 158156537) is [(3S,4S)-4-(1-amino-9H-fluoren-2-yl)-1-(cyclopropylmethyl)piperidin-3-yl]-[(2S)-2-phenylazetidin-1-yl]methanone.
What is the SMILES notation for [(3S,4S)-4-(1-amino-9H-fluoren-2-yl)-1-(cyclopropylmethyl)piperidin-3-yl]-[(2S)-2-phenylazetidin-1-yl]methanone?
The canonical SMILES for [(3S,4S)-4-(1-amino-9H-fluoren-2-yl)-1-(cyclopropylmethyl)piperidin-3-yl]-[(2S)-2-phenylazetidin-1-yl]methanone is Nc1c([C@H]2CCN(CC3CC3)C[C@H]2C(=O)N2CC[C@H]2c2ccccc2)ccc2c1Cc1ccccc1-2.
What is the InChIKey of [(3S,4S)-4-(1-amino-9H-fluoren-2-yl)-1-(cyclopropylmethyl)piperidin-3-yl]-[(2S)-2-phenylazetidin-1-yl]methanone?
The InChIKey is IDZSOMKETLJNAQ-XUEBXJBISA-N. The full InChI is InChI=1S/C32H35N3O/c33-31-27(13-12-25-24-9-5-4-8-23(24)18-28(25)31)26-14-16-34(19-21-10-11-21)20-29(26)32(36)35-17-15-30(35)22-6-2-1-3-7-22/h1-9,12-13,21,26,29-30H,10-11,14-20,33H2/t26-,29-,30+/m1/s1.
What are the key properties of [(3S,4S)-4-(1-amino-9H-fluoren-2-yl)-1-(cyclopropylmethyl)piperidin-3-yl]-[(2S)-2-phenylazetidin-1-yl]methanone?
[(3S,4S)-4-(1-amino-9H-fluoren-2-yl)-1-(cyclopropylmethyl)piperidin-3-yl]-[(2S)-2-phenylazetidin-1-yl]methanone has a molecular weight of 477.65 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4-(1-amino-9H-fluoren-2-yl)-1-(cyclopropylmethyl)piperidin-3-yl]-[(2S)-2-phenylazetidin-1-yl]methanone is sourced from PubChem (CID 158156537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).