(1S)-2,2-dibromo-1-methyl-N-[(2R)-1-(4-methylpiperidin-1-yl)propan-2-yl]cyclopropane-1-carboxamide

C14H24Br2N2O — CID 40647753

IUPAC(1S)-2,2-dibromo-1-methyl-N-[(2R)-1-(4-methylpiperidin-1-yl)propan-2-yl]cyclopropane-1-carboxamide
SMILESCC1CCN(C[C@@H](C)NC(=O)[C@]2(C)CC2(Br)Br)CC1
InChIInChI=1S/C14H24Br2N2O/c1-10-4-6-18(7-5-10)8-11(2)17-12(19)13(3)9-14(13,15)16/h10-11H,4-9H2,1-3H3,(H,17,19)/t11-,13+/m1/s1
InChIKeyLXDUPBWILSTEEG-YPMHNXCESA-N
MW396.17 g/mol
LogP3.12
Rot. Bonds4

About (1S)-2,2-dibromo-1-methyl-N-[(2R)-1-(4-methylpiperidin-1-yl)propan-2-yl]cyclopropane-1-carboxamide

(1S)-2,2-dibromo-1-methyl-N-[(2R)-1-(4-methylpiperidin-1-yl)propan-2-yl]cyclopropane-1-carboxamide (PubChem CID 40647753) has the molecular formula C14H24Br2N2O and a molecular weight of 396.17 g/mol. Its IUPAC name is (1S)-2,2-dibromo-1-methyl-N-[(2R)-1-(4-methylpiperidin-1-yl)propan-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-dibromo-1-methyl-N-[(2R)-1-(4-methylpiperidin-1-yl)propan-2-yl]cyclopropane-1-carboxamide
PubChem CID40647753
Molecular FormulaC14H24Br2N2O
Molecular Weight396.17 g/mol
Exact Mass394.03
IUPAC Name(1S)-2,2-dibromo-1-methyl-N-[(2R)-1-(4-methylpiperidin-1-yl)propan-2-yl]cyclopropane-1-carboxamide
SMILESCC1CCN(C[C@@H](C)NC(=O)[C@]2(C)CC2(Br)Br)CC1
InChIInChI=1S/C14H24Br2N2O/c1-10-4-6-18(7-5-10)8-11(2)17-12(19)13(3)9-14(13,15)16/h10-11H,4-9H2,1-3H3,(H,17,19)/t11-,13+/m1/s1
InChIKeyLXDUPBWILSTEEG-YPMHNXCESA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.17
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dibromo-1-methyl-N-[(2R)-1-(4-methylpiperidin-1-yl)propan-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of (1S)-2,2-dibromo-1-methyl-N-[(2R)-1-(4-methylpiperidin-1-yl)propan-2-yl]cyclopropane-1-carboxamide (CID 40647753) is (1S)-2,2-dibromo-1-methyl-N-[(2R)-1-(4-methylpiperidin-1-yl)propan-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-dibromo-1-methyl-N-[(2R)-1-(4-methylpiperidin-1-yl)propan-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2,2-dibromo-1-methyl-N-[(2R)-1-(4-methylpiperidin-1-yl)propan-2-yl]cyclopropane-1-carboxamide is CC1CCN(C[C@@H](C)NC(=O)[C@]2(C)CC2(Br)Br)CC1.
What is the InChIKey of (1S)-2,2-dibromo-1-methyl-N-[(2R)-1-(4-methylpiperidin-1-yl)propan-2-yl]cyclopropane-1-carboxamide?
The InChIKey is LXDUPBWILSTEEG-YPMHNXCESA-N. The full InChI is InChI=1S/C14H24Br2N2O/c1-10-4-6-18(7-5-10)8-11(2)17-12(19)13(3)9-14(13,15)16/h10-11H,4-9H2,1-3H3,(H,17,19)/t11-,13+/m1/s1.
What are the key properties of (1S)-2,2-dibromo-1-methyl-N-[(2R)-1-(4-methylpiperidin-1-yl)propan-2-yl]cyclopropane-1-carboxamide?
(1S)-2,2-dibromo-1-methyl-N-[(2R)-1-(4-methylpiperidin-1-yl)propan-2-yl]cyclopropane-1-carboxamide has a molecular weight of 396.17 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dibromo-1-methyl-N-[(2R)-1-(4-methylpiperidin-1-yl)propan-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 40647753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).